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

C18H27N3O — CID 84573746

IUPAC6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C18H27N3O/c22-18(19-15-9-4-3-5-10-15)16-11-8-12-17(20-16)21-13-6-1-2-7-14-21/h8,11-12,15H,1-7,9-10,13-14H2,(H,19,22)
InChIKeyRJDLRRJIXXFJNT-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.52
Rot. Bonds3

About 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide

6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide (PubChem CID 84573746) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
PubChem CID84573746
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C18H27N3O/c22-18(19-15-9-4-3-5-10-15)16-11-8-12-17(20-16)21-13-6-1-2-7-14-21/h8,11-12,15H,1-7,9-10,13-14H2,(H,19,22)
InChIKeyRJDLRRJIXXFJNT-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

6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094934
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-cyclopentyl-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094755
N-cyclohexyl-6-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 84574195
N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117088957
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
N-cyclopropyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109093812
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide (CID 84573746) is 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide is O=C(NC1CCCCC1)c1cccc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is RJDLRRJIXXFJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(19-15-9-4-3-5-10-15)16-11-8-12-17(20-16)21-13-6-1-2-7-14-21/h8,11-12,15H,1-7,9-10,13-14H2,(H,19,22).
What are the key properties of 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide?
6-(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 6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 84573746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).