5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide

C19H23N3O — CID 109241324

IUPAC5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(N2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-21(17-9-5-4-6-10-17)19(23)16-13-18(15-20-14-16)22-11-7-2-3-8-12-22/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3
InChIKeyVICLLSIDUJJNCE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.74
Rot. Bonds3

About 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide

5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 109241324) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide
PubChem CID109241324
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(N2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-21(17-9-5-4-6-10-17)19(23)16-13-18(15-20-14-16)22-11-7-2-3-8-12-22/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3
InChIKeyVICLLSIDUJJNCE-UHFFFAOYSA-N
XLogP3.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109104691
5-(diethylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109238902
N-ethyl-5-(3-methylpiperidin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109240823
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
3-N-(2-chlorophenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108073
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112847677
N-methyl-N-phenyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 84571145
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide (CID 109241324) is 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide is CN(C(=O)c1cncc(N2CCCCCC2)c1)c1ccccc1.
What is the InChIKey of 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is VICLLSIDUJJNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(17-9-5-4-6-10-17)19(23)16-13-18(15-20-14-16)22-11-7-2-3-8-12-22/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3.
What are the key properties of 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide?
5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109241324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).