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

C24H17N3O2 — CID 10293091

IUPAC2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESCOc1ccccc1-n1cc(-c2ccccn2)cc(-c2ccccc2C#N)c1=O
InChIInChI=1S/C24H17N3O2/c1-29-23-12-5-4-11-22(23)27-16-18(21-10-6-7-13-26-21)14-20(24(27)28)19-9-3-2-8-17(19)15-25/h2-14,16H,1H3
InChIKeyPXKNDCRXLYKBJZ-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.45
Rot. Bonds4

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

2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (PubChem CID 10293091) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
PubChem CID10293091
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESCOc1ccccc1-n1cc(-c2ccccn2)cc(-c2ccccc2C#N)c1=O
InChIInChI=1S/C24H17N3O2/c1-29-23-12-5-4-11-22(23)27-16-18(21-10-6-7-13-26-21)14-20(24(27)28)19-9-3-2-8-17(19)15-25/h2-14,16H,1H3
InChIKeyPXKNDCRXLYKBJZ-UHFFFAOYSA-N
XLogP4.45
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-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-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (CID 10293091) is 2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is COc1ccccc1-n1cc(-c2ccccn2)cc(-c2ccccc2C#N)c1=O.
What is the InChIKey of 2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The InChIKey is PXKNDCRXLYKBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-29-23-12-5-4-11-22(23)27-16-18(21-10-6-7-13-26-21)14-20(24(27)28)19-9-3-2-8-17(19)15-25/h2-14,16H,1H3.
What are the key properties of 2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile has a molecular weight of 379.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 10293091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).