2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

C24H17N3O — CID 150641386

IUPAC2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESCc1ccccc1-n1cc(-c2ccccn2)cc(-c2ccccc2C#N)c1=O
InChIInChI=1S/C24H17N3O/c1-17-8-2-5-12-23(17)27-16-19(22-11-6-7-13-26-22)14-21(24(27)28)20-10-4-3-9-18(20)15-25/h2-14,16H,1H3
InChIKeyIZZGGAICKOSNMW-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.75
Rot. Bonds3

About 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (PubChem CID 150641386) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
PubChem CID150641386
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESCc1ccccc1-n1cc(-c2ccccn2)cc(-c2ccccc2C#N)c1=O
InChIInChI=1S/C24H17N3O/c1-17-8-2-5-12-23(17)27-16-19(22-11-6-7-13-26-22)14-21(24(27)28)20-10-4-3-9-18(20)15-25/h2-14,16H,1H3
InChIKeyIZZGGAICKOSNMW-UHFFFAOYSA-N
XLogP4.75
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (CID 150641386) is 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is Cc1ccccc1-n1cc(-c2ccccn2)cc(-c2ccccc2C#N)c1=O.
What is the InChIKey of 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The InChIKey is IZZGGAICKOSNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c1-17-8-2-5-12-23(17)27-16-19(22-11-6-7-13-26-22)14-21(24(27)28)20-10-4-3-9-18(20)15-25/h2-14,16H,1H3.
What are the key properties of 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile has a molecular weight of 363.42 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 150641386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).