2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile

C25H18N2O2 — CID 10134250

IUPAC2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile
SMILESCOc1ccccc1-c1cc(-c2ccccc2C#N)c(=O)n(-c2ccccc2)c1
InChIInChI=1S/C25H18N2O2/c1-29-24-14-8-7-13-22(24)19-15-23(21-12-6-5-9-18(21)16-26)25(28)27(17-19)20-10-3-2-4-11-20/h2-15,17H,1H3
InChIKeyPNRVQMKGCIHJTK-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.05
Rot. Bonds4

About 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile

2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile (PubChem CID 10134250) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile
PubChem CID10134250
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile
SMILESCOc1ccccc1-c1cc(-c2ccccc2C#N)c(=O)n(-c2ccccc2)c1
InChIInChI=1S/C25H18N2O2/c1-29-24-14-8-7-13-22(24)19-15-23(21-12-6-5-9-18(21)16-26)25(28)27(17-19)20-10-3-2-4-11-20/h2-15,17H,1H3
InChIKeyPNRVQMKGCIHJTK-UHFFFAOYSA-N
XLogP5.05
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile (CID 10134250) is 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile is COc1ccccc1-c1cc(-c2ccccc2C#N)c(=O)n(-c2ccccc2)c1.
What is the InChIKey of 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile?
The InChIKey is PNRVQMKGCIHJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-29-24-14-8-7-13-22(24)19-15-23(21-12-6-5-9-18(21)16-26)25(28)27(17-19)20-10-3-2-4-11-20/h2-15,17H,1H3.
What are the key properties of 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile?
2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile has a molecular weight of 378.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 10134250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).