2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide

C18H20ClN3O — CID 84576263

IUPAC2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccnc1N1CCCCCC1
InChIInChI=1S/C18H20ClN3O/c19-15-9-3-4-10-16(15)21-18(23)14-8-7-11-20-17(14)22-12-5-1-2-6-13-22/h3-4,7-11H,1-2,5-6,12-13H2,(H,21,23)
InChIKeyDNKCIKCEILRXGX-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.37
Rot. Bonds3

About 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide

2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide (PubChem CID 84576263) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
PubChem CID84576263
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccnc1N1CCCCCC1
InChIInChI=1S/C18H20ClN3O/c19-15-9-3-4-10-16(15)21-18(23)14-8-7-11-20-17(14)22-12-5-1-2-6-13-22/h3-4,7-11H,1-2,5-6,12-13H2,(H,21,23)
InChIKeyDNKCIKCEILRXGX-UHFFFAOYSA-N
XLogP4.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 84576944
2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 60788894
N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4792834
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 31536358
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide (CID 84576263) is 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cccnc1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is DNKCIKCEILRXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-15-9-3-4-10-16(15)21-18(23)14-8-7-11-20-17(14)22-12-5-1-2-6-13-22/h3-4,7-11H,1-2,5-6,12-13H2,(H,21,23).
What are the key properties of 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide?
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 84576263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).