4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile

C16H16N2O — CID 82119679

IUPAC4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2cc(C)c(C)c(C#N)c2=O)cc1
InChIInChI=1S/C16H16N2O/c1-11-4-6-14(7-5-11)10-18-9-12(2)13(3)15(8-17)16(18)19/h4-7,9H,10H2,1-3H3
InChIKeyOBXRAEFDFHXMOU-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.69
Rot. Bonds2

About 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile

4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 82119679) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID82119679
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2cc(C)c(C)c(C#N)c2=O)cc1
InChIInChI=1S/C16H16N2O/c1-11-4-6-14(7-5-11)10-18-9-12(2)13(3)15(8-17)16(18)19/h4-7,9H,10H2,1-3H3
InChIKeyOBXRAEFDFHXMOU-UHFFFAOYSA-N
XLogP2.69
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-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-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 82120457
1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 70482189
5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117970
6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19117946
4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 82111825
6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117877
1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 94282119
6-(4-methylphenyl)-2-oxo-4-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
CID 87958234
2-chloro-5,7-dimethyl-1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82269060
1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82086176
1-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520207
2-benzyl-4-methyl-5,6,7,8-tetrahydroisoquinolin-1-one
CID 123599433

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (CID 82119679) is 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is Cc1ccc(Cn2cc(C)c(C)c(C#N)c2=O)cc1.
What is the InChIKey of 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is OBXRAEFDFHXMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-4-6-14(7-5-11)10-18-9-12(2)13(3)15(8-17)16(18)19/h4-7,9H,10H2,1-3H3.
What are the key properties of 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82119679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).