2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide

C19H20ClN3O2 — CID 109090752

IUPAC2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-5-7-16(8-6-15)22-18(24)14-9-10-21-17(13-14)19(25)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyYIDAOIXLYIJIDF-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.00
Rot. Bonds3

About 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide

2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide (PubChem CID 109090752) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
PubChem CID109090752
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-5-7-16(8-6-15)22-18(24)14-9-10-21-17(13-14)19(25)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyYIDAOIXLYIJIDF-UHFFFAOYSA-N
XLogP4.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081299
2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109090742
2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109090794
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
methyl 4-[[4-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109090698
2-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109090787
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N-(3-chloro-4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084361
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide (CID 109090752) is 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccnc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide?
The InChIKey is YIDAOIXLYIJIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-5-7-16(8-6-15)22-18(24)14-9-10-21-17(13-14)19(25)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24).
What are the key properties of 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide?
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).