6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile

C17H18N2O — CID 82099063

IUPAC6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2CC(C)C)cc1
InChIInChI=1S/C17H18N2O/c1-12(2)11-19-16(9-8-15(10-18)17(19)20)14-6-4-13(3)5-7-14/h4-9,12H,11H2,1-3H3
InChIKeyAJMGPXBLOGWLSL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.35
Rot. Bonds3

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

6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82099063) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
PubChem CID82099063
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2CC(C)C)cc1
InChIInChI=1S/C17H18N2O/c1-12(2)11-19-16(9-8-15(10-18)17(19)20)14-6-4-13(3)5-7-14/h4-9,12H,11H2,1-3H3
InChIKeyAJMGPXBLOGWLSL-UHFFFAOYSA-N
XLogP3.35
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
CID 82516710
1-(2-aminobutyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146896
2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide
CID 82099124
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]butanoic acid
CID 82099050
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
propan-2-yl 2-(3-cyano-2-oxo-6-phenyl-1-pyridinyl)acetate
CID 82099014
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751
6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile
CID 82146980
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (CID 82099063) is 6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is Cc1ccc(-c2ccc(C#N)c(=O)n2CC(C)C)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is AJMGPXBLOGWLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)11-19-16(9-8-15(10-18)17(19)20)14-6-4-13(3)5-7-14/h4-9,12H,11H2,1-3H3.
What are the key properties of 6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).