6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile

C15H16N2O — CID 2763790

IUPAC6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile
SMILESCC1=C(C#N)CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)10-17-12(2)14(9-16)7-8-15(17)18/h3-6H,7-8,10H2,1-2H3
InChIKeyAWCIGKDESOWGDY-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.91
Rot. Bonds2

About 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile

6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile (PubChem CID 2763790) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile
PubChem CID2763790
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile
SMILESCC1=C(C#N)CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)10-17-12(2)14(9-16)7-8-15(17)18/h3-6H,7-8,10H2,1-2H3
InChIKeyAWCIGKDESOWGDY-UHFFFAOYSA-N
XLogP2.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile?
The IUPAC name of 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile (CID 2763790) is 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile?
The canonical SMILES for 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile is CC1=C(C#N)CCC(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile?
The InChIKey is AWCIGKDESOWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)10-17-12(2)14(9-16)7-8-15(17)18/h3-6H,7-8,10H2,1-2H3.
What are the key properties of 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile?
6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 2763790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).