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

C22H27N3O2 — CID 109090740

IUPAC2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C22H27N3O2/c1-3-17-10-8-9-16(2)20(17)24-21(26)18-11-12-23-19(15-18)22(27)25-13-6-4-5-7-14-25/h8-12,15H,3-7,13-14H2,1-2H3,(H,24,26)
InChIKeyISXFNYUBFDINAQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.22
Rot. Bonds4

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

2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide (PubChem CID 109090740) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
PubChem CID109090740
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C22H27N3O2/c1-3-17-10-8-9-16(2)20(17)24-21(26)18-11-12-23-19(15-18)22(27)25-13-6-4-5-7-14-25/h8-12,15H,3-7,13-14H2,1-2H3,(H,24,26)
InChIKeyISXFNYUBFDINAQ-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 109090661
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084586
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249998
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753
4-N-(2-ethyl-6-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085969
ethyl 2-[[2-(azepane-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109090798

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide (CID 109090740) is 2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1ccnc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide?
The InChIKey is ISXFNYUBFDINAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-17-10-8-9-16(2)20(17)24-21(26)18-11-12-23-19(15-18)22(27)25-13-6-4-5-7-14-25/h8-12,15H,3-7,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide?
2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.22, 4 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-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).