5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide

C18H19N5O — CID 109289409

IUPAC5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(N3CCCCCC3)cn2)c1
InChIInChI=1S/C18H19N5O/c19-11-14-6-5-7-15(10-14)22-18(24)16-12-21-17(13-20-16)23-8-3-1-2-4-9-23/h5-7,10,12-13H,1-4,8-9H2,(H,22,24)
InChIKeyNEFIAQDCADTFEB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.98
Rot. Bonds3

About 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide

5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide (PubChem CID 109289409) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
PubChem CID109289409
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(N3CCCCCC3)cn2)c1
InChIInChI=1S/C18H19N5O/c19-11-14-6-5-7-15(10-14)22-18(24)16-12-21-17(13-20-16)23-8-3-1-2-4-9-23/h5-7,10,12-13H,1-4,8-9H2,(H,22,24)
InChIKeyNEFIAQDCADTFEB-UHFFFAOYSA-N
XLogP2.98
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
6-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854430
N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852927
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642
N-(3-cyanophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321717
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279021

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide (CID 109289409) is 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide is N#Cc1cccc(NC(=O)c2cnc(N3CCCCCC3)cn2)c1.
What is the InChIKey of 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide?
The InChIKey is NEFIAQDCADTFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-11-14-6-5-7-15(10-14)22-18(24)16-12-21-17(13-20-16)23-8-3-1-2-4-9-23/h5-7,10,12-13H,1-4,8-9H2,(H,22,24).
What are the key properties of 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).