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3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide

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Identification
Molecular formula
C13H18ClN7O
CAS number
.
IUPAC name
3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide
State
State

This compound is typically a solid at room temperature. Its characteristics as a solid might be studied further for insights into its potential uses and storage conditions.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.00
Boiling point (Celsius)
550.00
Boiling point (Kelvin)
823.00
General information
Molecular weight
269.69g/mol
Molar mass
269.6940g/mol
Density
1.4400g/cm3
Appearence

This compound appears as a crystalline solid typically characterized by its specific structural features. The presence of chloro, pyrazine, and carboxamide groups may influence its appearance, contributing to typical crystalline properties often observed in similar compounds.

Comment on solubility

Solubility of 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide

The solubility of 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide (C13H18ClN7O) can be influenced by several factors due to its complex structure. Understanding its solubility characteristics is crucial for applications in pharmaceutical formulations and chemical processes.

Factors Affecting Solubility

  • Polarity: The presence of amino groups and a carboxamide functional group may enhance hydrophilicity, improving solubility in polar solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds can lead to better solvation in water, potentially increasing overall solubility.
  • Intermolecular Forces: Interactions such as van der Waals forces may also play a significant role in the solubility profile of this compound.

Due to these factors, the solubility of this compound can be expected to vary significantly with temperature and pH. It is advisable to conduct solubility tests in various solvents to determine the most effective conditions for reaching desired concentrations.

Practical Implications

In pharmaceutical applications, solubility is a key property affecting bioavailability. Compounds with low solubility may require formulations with solubilizing agents or alternative dosing strategies to ensure effective therapeutic action.

Interesting facts

Interesting Facts about 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide

This complex organic compound, known for its unique structure and intriguing properties, features a pyrazine ring—a fascinating framework that often serves as a building block in medicinal chemistry. Here are some notable aspects of this compound:

  • Pharmacological Potential: The presence of both amino and chloro groups in the structure suggests that this compound may exhibit diverse biological activity, making it a candidate for further pharmacological investigation.
  • Innovative Design: The inclusion of an azepan moiety, a seven-membered nitrogen-containing ring, may enhance the compound's activity and interaction with biological targets, representing a contemporary trend in drug design.
  • Multifunctionality: The diaminomethylene substituent can generate multiple reactive points within biochemical pathways, potentially allowing for selective interaction with enzymes or receptors of interest.
  • Synthetic Challenges: Due to its complex structure, synthesizing this compound can present challenges in terms of reaction conditions and purification, making it an appealing target for synthetic chemists looking to innovate.

As researchers delve deeper into the properties and applications of 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide, it may lead to exciting new discoveries in fields such as pharmaceutical science and materials chemistry. The study of such compounds sheds light on the intricate relationships between structure and function, providing valuable insights for future applications.

Synonyms
5-(N,N-Hexamethylene)amiloride
1428-95-1
5-(N,N-hexamethylene)-Amiloride
Hexamethylene amiloride
Hexamethyleneamiloride
HMA-5
5-HMA
HMA
CHEBI:76400
N,N-HEXAMETHYLENEAMILORIDE
3-Amino-6-chloro-5-(1-homopiperidyl)-N-(diaminomethylene)pyrazinecarboxamide
3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Hexamethylene amiloride;HMA
DTXSID10162188
3-amino-5-(azepan-1-yl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide
3-Amino-N-(aminoiminomethyl)-6-chloro-5-(hexahydro-1H-azepin-1-yl)pyrazinecarboxamide
Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-6-chloro-5-(hexahydro-1H-azepin-1-yl)-
1345839-29-3
Spectrum_001596
SpecPlus_000779
Spectrum2_001669
Spectrum3_001662
Spectrum4_000623
Spectrum5_001388
Lopac-A-9561
Lopac0_000104
BSPBio_003443
KBioGR_001206
KBioSS_002076
MLS002153208
BIDD:GT0357
DivK1c_006875
SPECTRUM1504215
SPBio_001857
CHEMBL501701
GTPL1192
SCHEMBL7862943
SCHEMBL9852488
DTXCID7084679
BDBM81818
KBio1_001819
KBio2_002076
KBio2_004644
KBio2_007212
KBio3_002663
N-N-HEXAMETHYLENEAMILORIDE
RQQJJXVETXFINY-UHFFFAOYSA-N
HMS2233N17
HMS3260E10
CAS_1794
NSC_1794
Tox21_500104
CCG-39661
MFCD00069211
PDSP1_001080
PDSP2_001064
AKOS040758618
CCG-221408
LP00104
SDCCGSBI-0050092.P003
NCGC00015108-01
NCGC00015108-02
NCGC00015108-03
NCGC00015108-04
NCGC00015108-05
NCGC00015108-06
NCGC00015108-09
NCGC00093601-01
NCGC00093601-02
NCGC00095333-01
NCGC00095333-02
NCGC00260789-01
1ST10507
DA-49774
MS-24542
SMR001230687
HY-128067
CS-0095166
EU-0100104
NS00100942
A 9561
G12186
SR-01000075696
SR-01000075696-1
BRD-K40990712-001-02-4
Q27073995
634-319-7