1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile

C20H16N2O — CID 57402612

IUPAC1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2C#N)cc1
InChIInChI=1S/C20H16N2O/c1-15-7-9-17(10-8-15)18-11-12-22(20(23)19(18)13-21)14-16-5-3-2-4-6-16/h2-12H,14H2,1H3
InChIKeyDGBCLSHICWAWHN-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.74
Rot. Bonds3

About 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile

1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 57402612) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID57402612
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2C#N)cc1
InChIInChI=1S/C20H16N2O/c1-15-7-9-17(10-8-15)18-11-12-22(20(23)19(18)13-21)14-16-5-3-2-4-6-16/h2-12H,14H2,1H3
InChIKeyDGBCLSHICWAWHN-UHFFFAOYSA-N
XLogP3.74
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile (CID 57402612) is 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile is Cc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2C#N)cc1.
What is the InChIKey of 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is DGBCLSHICWAWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-15-7-9-17(10-8-15)18-11-12-22(20(23)19(18)13-21)14-16-5-3-2-4-6-16/h2-12H,14H2,1H3.
What are the key properties of 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 300.36 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 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 57402612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).