6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

C21H27N3O — CID 84573739

IUPAC6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C21H27N3O/c1-16(2)17-10-5-6-11-18(17)23-21(25)19-12-9-13-20(22-19)24-14-7-3-4-8-15-24/h5-6,9-13,16H,3-4,7-8,14-15H2,1-2H3,(H,23,25)
InChIKeyRGOLODHSVVDTBD-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.84
Rot. Bonds4

About 6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 84573739) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID84573739
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C21H27N3O/c1-16(2)17-10-5-6-11-18(17)23-21(25)19-12-9-13-20(22-19)24-14-7-3-4-8-15-24/h5-6,9-13,16H,3-4,7-8,14-15H2,1-2H3,(H,23,25)
InChIKeyRGOLODHSVVDTBD-UHFFFAOYSA-N
XLogP4.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573709
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109355509
6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 84573850
6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 84573602
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
N-(2,5-dimethoxyphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573662
2-N-(2-methylpropyl)-6-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109094481
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
6-N-(2-methoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100651
2-methyl-1-(6-pyrrolidin-1-yl-2-pyridinyl)propan-1-one
CID 83888265
2-N-(2-morpholin-4-ylethyl)-6-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109096478
N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573565

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (CID 84573739) is 6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccccc1NC(=O)c1cccc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is RGOLODHSVVDTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16(2)17-10-5-6-11-18(17)23-21(25)19-12-9-13-20(22-19)24-14-7-3-4-8-15-24/h5-6,9-13,16H,3-4,7-8,14-15H2,1-2H3,(H,23,25).
What are the key properties of 6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.84, 4 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-(2-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 84573739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).