4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile

C16H16N2O — CID 5000326

IUPAC4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccccc1Cn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C16H16N2O/c1-11-6-4-5-7-14(11)10-18-13(3)8-12(2)15(9-17)16(18)19/h4-8H,10H2,1-3H3
InChIKeyJSFGKWBBZMOTRM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.69
Rot. Bonds2

About 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile

4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 5000326) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID5000326
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccccc1Cn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C16H16N2O/c1-11-6-4-5-7-14(11)10-18-13(3)8-12(2)15(9-17)16(18)19/h4-8H,10H2,1-3H3
InChIKeyJSFGKWBBZMOTRM-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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (CID 5000326) is 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is Cc1ccccc1Cn1c(C)cc(C)c(C#N)c1=O.
What is the InChIKey of 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is JSFGKWBBZMOTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-6-4-5-7-14(11)10-18-13(3)8-12(2)15(9-17)16(18)19/h4-8H,10H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
4,6-dimethyl-1-[(2-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 4,6-dimethyl-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 5000326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).