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

C15H14N2O — CID 82084066

IUPAC1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(C)n(C)c(=O)c1C#N
InChIInChI=1S/C15H14N2O/c1-10-6-4-5-7-12(10)13-8-11(2)17(3)15(18)14(13)9-16/h4-8H,1-3H3
InChIKeyMDVYRMKQCSOMFB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.54
Rot. Bonds1

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

1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82084066) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82084066
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(C)n(C)c(=O)c1C#N
InChIInChI=1S/C15H14N2O/c1-10-6-4-5-7-12(10)13-8-11(2)17(3)15(18)14(13)9-16/h4-8H,1-3H3
InChIKeyMDVYRMKQCSOMFB-UHFFFAOYSA-N
XLogP2.54
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile (CID 82084066) is 1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile is Cc1ccccc1-c1cc(C)n(C)c(=O)c1C#N.
What is the InChIKey of 1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is MDVYRMKQCSOMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-6-4-5-7-12(10)13-8-11(2)17(3)15(18)14(13)9-16/h4-8H,1-3H3.
What are the key properties of 1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile?
1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82084066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).