N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide

C16H15N3O2 — CID 39862062

IUPACN-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C16H15N3O2/c1-18-8-7-14(9-15(18)20)16(21)19(2)11-13-5-3-12(10-17)4-6-13/h3-9H,11H2,1-2H3
InChIKeyDHZAVIAGYYAZRC-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.53
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide

N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide (PubChem CID 39862062) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
PubChem CID39862062
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C16H15N3O2/c1-18-8-7-14(9-15(18)20)16(21)19(2)11-13-5-3-12(10-17)4-6-13/h3-9H,11H2,1-2H3
InChIKeyDHZAVIAGYYAZRC-UHFFFAOYSA-N
XLogP1.53
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)-
CID 111488
1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
4,6-Dimethyl-1-(2-methylbenzyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 5000326
1-Benzyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 561750
1,4-Bis(malimido)xylene
CID 22022556
1-Benzyl-4-hexylpyridin-2-one
CID 121493777
2-[(2-Oxo-4-pentyl-1-pyridinyl)methyl]benzonitrile
CID 127054018
1-Ethyl-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 1487453
3-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzonitrile
CID 2746452
2-(3-Cyano-2-oxo-6-p-tolyl-2H-pyridin-1-yl)-N,N-dimethyl-acetamide
CID 6488607
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 7530469

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide (CID 39862062) is N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The InChIKey is DHZAVIAGYYAZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-18-8-7-14(9-15(18)20)16(21)19(2)11-13-5-3-12(10-17)4-6-13/h3-9H,11H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide?
N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 39862062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).