6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile

C16H16N2O — CID 134296937

IUPAC6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(C)C)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C16H16N2O/c1-10(2)13-8-15(18-16(19)14(13)9-17)12-6-4-11(3)5-7-12/h4-8,10H,1-3H3,(H,18,19)
InChIKeyNQIDCORHOBTVQD-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.35
Rot. Bonds2

About 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile

6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 134296937) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
PubChem CID134296937
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(C)C)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C16H16N2O/c1-10(2)13-8-15(18-16(19)14(13)9-17)12-6-4-11(3)5-7-12/h4-8,10H,1-3H3,(H,18,19)
InChIKeyNQIDCORHOBTVQD-UHFFFAOYSA-N
XLogP3.35
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657109
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656390
4-tert-butyl-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile;ethane
CID 142311064
1-(4-methylphenyl)-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 15026822
2-(4-methylphenyl)-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 834813
4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
CID 133064841
4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656984
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 53256598
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile (CID 134296937) is 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(C(C)C)c(C#N)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is NQIDCORHOBTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10(2)13-8-15(18-16(19)14(13)9-17)12-6-4-11(3)5-7-12/h4-8,10H,1-3H3,(H,18,19).
What are the key properties of 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 134296937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).