6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide

C20H22ClN3O2 — CID 109099901

IUPAC6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)N3CCCCCC3)n2)cc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-14-9-10-15(13-16(14)21)22-19(25)17-7-6-8-18(23-17)20(26)24-11-4-2-3-5-12-24/h6-10,13H,2-5,11-12H2,1H3,(H,22,25)
InChIKeyQUXTWUIMOBTQNI-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.31
Rot. Bonds3

About 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide

6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109099901) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
PubChem CID109099901
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)N3CCCCCC3)n2)cc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-14-9-10-15(13-16(14)21)22-19(25)17-7-6-8-18(23-17)20(26)24-11-4-2-3-5-12-24/h6-10,13H,2-5,11-12H2,1H3,(H,22,25)
InChIKeyQUXTWUIMOBTQNI-UHFFFAOYSA-N
XLogP4.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704
N-(5-chloro-2-methylphenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094861
6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109099941
N-(2,6-dichlorophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095252
N-(3-chloro-4-methylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099656
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
N-(2-chlorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094857
N-(3-chloro-4-methoxyphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096074
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094899

Frequently Asked Questions

What is the IUPAC name of 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide (CID 109099901) is 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)N3CCCCCC3)n2)cc1Cl.
What is the InChIKey of 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is QUXTWUIMOBTQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-14-9-10-15(13-16(14)21)22-19(25)17-7-6-8-18(23-17)20(26)24-11-4-2-3-5-12-24/h6-10,13H,2-5,11-12H2,1H3,(H,22,25).
What are the key properties of 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide?
6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109099901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).