N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide

C18H21N3O — CID 38282179

IUPACN-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCCC1)c1cccnc1
InChIInChI=1S/C18H21N3O/c22-18(15-8-7-11-19-14-15)20-16-9-3-4-10-17(16)21-12-5-1-2-6-13-21/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,20,22)
InChIKeyOQSPNROYCVQCDI-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.71
Rot. Bonds3

About N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide

N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 38282179) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID38282179
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCCC1)c1cccnc1
InChIInChI=1S/C18H21N3O/c22-18(15-8-7-11-19-14-15)20-16-9-3-4-10-17(16)21-12-5-1-2-6-13-21/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,20,22)
InChIKeyOQSPNROYCVQCDI-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 4538085
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
N-(2-fluoro-5-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110362254
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 110361821
N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171812
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide (CID 38282179) is N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1N1CCCCCC1)c1cccnc1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is OQSPNROYCVQCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(15-8-7-11-19-14-15)20-16-9-3-4-10-17(16)21-12-5-1-2-6-13-21/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,20,22).
What are the key properties of N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide?
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 38282179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).