5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile

C16H16N2O — CID 82119661

IUPAC5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(=O)[nH]c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H16N2O/c1-10(2)12-4-6-13(7-5-12)15-11(3)8-14(9-17)16(19)18-15/h4-8,10H,1-3H3,(H,18,19)
InChIKeyQZFXAYVPLVRPQB-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.35
Rot. Bonds2

About 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile

5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile (PubChem CID 82119661) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
PubChem CID82119661
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(=O)[nH]c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H16N2O/c1-10(2)12-4-6-13(7-5-12)15-11(3)8-14(9-17)16(19)18-15/h4-8,10H,1-3H3,(H,18,19)
InChIKeyQZFXAYVPLVRPQB-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

2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 144545519
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 142818982
6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120107
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156
ethane;2-methyl-5-propan-2-ylbenzonitrile
CID 177048895
5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 82123931
2,10-dioxo-8-propan-2-yl-1H-chromeno[3,2-b]pyridine-3-carbonitrile
CID 20561054
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 71574198
2-amino-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393028
5-cyano-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 82410221
4-methoxy-2-(4-propan-2-ylphenyl)benzonitrile
CID 172989867
6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171454

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile (CID 82119661) is 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile is Cc1cc(C#N)c(=O)[nH]c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile?
The InChIKey is QZFXAYVPLVRPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10(2)12-4-6-13(7-5-12)15-11(3)8-14(9-17)16(19)18-15/h4-8,10H,1-3H3,(H,18,19).
What are the key properties of 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile?
5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-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 5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82119661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).