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

C16H16N2O — CID 82119664

IUPAC4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C)n(C)c(=O)c2C#N)c(C)c1
InChIInChI=1S/C16H16N2O/c1-10-5-6-13(11(2)7-10)14-8-12(3)18(4)16(19)15(14)9-17/h5-8H,1-4H3
InChIKeyAVGRULDXODUZQM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.85
Rot. Bonds1

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

4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 82119664) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID82119664
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C)n(C)c(=O)c2C#N)c(C)c1
InChIInChI=1S/C16H16N2O/c1-10-5-6-13(11(2)7-10)14-8-12(3)18(4)16(19)15(14)9-17/h5-8H,1-4H3
InChIKeyAVGRULDXODUZQM-UHFFFAOYSA-N
XLogP2.85
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82084066
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile
CID 82080782
1-(2,4-dimethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117088
5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
CID 158037580
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
CID 84625068
4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656970
2-(2,5-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbonitrile
CID 165485031
4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586093
6-(2,4-dimethylphenyl)-1,3-dimethylpyrimidine-2,4-dione
CID 15326624
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile
CID 82444814
2,5-bis(2,4-dimethylphenyl)furan
CID 69007867

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 82119664) is 4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1ccc(-c2cc(C)n(C)c(=O)c2C#N)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is AVGRULDXODUZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-5-6-13(11(2)7-10)14-8-12(3)18(4)16(19)15(14)9-17/h5-8H,1-4H3.
What are the key properties of 4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile?
4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82119664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).