4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide

C19H22ClN3O — CID 109218661

IUPAC4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C19H22ClN3O/c1-14-16(20)7-6-8-17(14)22-19(24)18-13-15(9-10-21-18)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyGZOFNOFPKBEBGX-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.68
Rot. Bonds3

About 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide

4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 109218661) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID109218661
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C19H22ClN3O/c1-14-16(20)7-6-8-17(14)22-19(24)18-13-15(9-10-21-18)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyGZOFNOFPKBEBGX-UHFFFAOYSA-N
XLogP4.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203970
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362803
4-piperidin-1-yl-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109204673
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109218712
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide (CID 109218661) is 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is GZOFNOFPKBEBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-16(20)7-6-8-17(14)22-19(24)18-13-15(9-10-21-18)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,24).
What are the key properties of 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109218661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).