1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C14H12N2O2 — CID 561750

IUPAC1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(Cc2ccccc2)c(O)c1C#N
InChIInChI=1S/C14H12N2O2/c1-10-7-13(17)16(14(18)12(10)8-15)9-11-5-3-2-4-6-11/h2-7,18H,9H2,1H3
InChIKeyZPIMJQIFNFAVOZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.78
Rot. Bonds2

About 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 561750) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID561750
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(Cc2ccccc2)c(O)c1C#N
InChIInChI=1S/C14H12N2O2/c1-10-7-13(17)16(14(18)12(10)8-15)9-11-5-3-2-4-6-11/h2-7,18H,9H2,1H3
InChIKeyZPIMJQIFNFAVOZ-UHFFFAOYSA-N
XLogP1.78
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile 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

1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54678659
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)-
CID 111488
4,6-Dimethyl-1-(2-methylbenzyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 5000326
1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
2-[(2-Oxo-4-pentyl-1-pyridinyl)methyl]benzonitrile
CID 127054018
3-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzonitrile
CID 2746452
2-Methyl-1-(4-methylbenzyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
CID 2763790
1-Ethyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 1488311
1-[(3-Fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3243885
4-[(6-Methyl-2,2,4-trioxooxathiazin-3-yl)methyl]benzonitrile
CID 118710200
1-benzyl-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 10536627
N-benzyl-2-cyano-3-(dimethylamino)-2-butenamide
CID 870141

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 561750) is 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is Cc1cc(=O)n(Cc2ccccc2)c(O)c1C#N.
What is the InChIKey of 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is ZPIMJQIFNFAVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-7-13(17)16(14(18)12(10)8-15)9-11-5-3-2-4-6-11/h2-7,18H,9H2,1H3.
What are the key properties of 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 561750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).