5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide

C19H22ClN3O — CID 109196885

IUPAC5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C19H22ClN3O/c1-14-6-7-15(20)12-18(14)22-19(24)17-9-8-16(13-21-17)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,24)
InChIKeyIRFWFVAYMAMLLF-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.68
Rot. Bonds3

About 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide

5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 109196885) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID109196885
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C19H22ClN3O/c1-14-6-7-15(20)12-18(14)22-19(24)17-9-8-16(13-21-17)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,24)
InChIKeyIRFWFVAYMAMLLF-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-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196455
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182834
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 84576944
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(5-chloro-2-methylphenyl)-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183168
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182144
N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide (CID 109196885) is 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is IRFWFVAYMAMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-6-7-15(20)12-18(14)22-19(24)17-9-8-16(13-21-17)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,24).
What are the key properties of 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide?
5-(azepan-1-yl)-N-(5-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 5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109196885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).