2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

C21H25N3O3 — CID 109090766

IUPAC2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-7-8-19(27-2)17(13-15)23-20(25)16-9-10-22-18(14-16)21(26)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyJOSZKOZAZFHKJH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.67
Rot. Bonds4

About 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (PubChem CID 109090766) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
PubChem CID109090766
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-7-8-19(27-2)17(13-15)23-20(25)16-9-10-22-18(14-16)21(26)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyJOSZKOZAZFHKJH-UHFFFAOYSA-N
XLogP3.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308
N-(2,4-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081309
2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109090770
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081755
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281
methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109081318
N-(5-chloro-2-methoxyphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090402
4-N-(4-chlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092862
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
4-N-tert-butyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089176
[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250025
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (CID 109090766) is 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The InChIKey is JOSZKOZAZFHKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-7-8-19(27-2)17(13-15)23-20(25)16-9-10-22-18(14-16)21(26)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).