5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide

C18H27N3O — CID 109182978

IUPAC5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C18H27N3O/c22-18(20-15-8-4-3-5-9-15)17-11-10-16(14-19-17)21-12-6-1-2-7-13-21/h10-11,14-15H,1-9,12-13H2,(H,20,22)
InChIKeyIXOZQHGLNPPEMR-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.52
Rot. Bonds3

About 5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide

5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide (PubChem CID 109182978) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
PubChem CID109182978
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C18H27N3O/c22-18(20-15-8-4-3-5-9-15)17-11-10-16(14-19-17)21-12-6-1-2-7-13-21/h10-11,14-15H,1-9,12-13H2,(H,20,22)
InChIKeyIXOZQHGLNPPEMR-UHFFFAOYSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109182962
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182834
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195506

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide (CID 109182978) is 5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide is O=C(NC1CCCCC1)c1ccc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is IXOZQHGLNPPEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(20-15-8-4-3-5-9-15)17-11-10-16(14-19-17)21-12-6-1-2-7-13-21/h10-11,14-15H,1-9,12-13H2,(H,20,22).
What are the key properties of 5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide?
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.52, 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-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 109182978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).