2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride

C23H16ClN3O — CID 23650677

IUPAC2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C23H15N3O.ClH/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;/h1-14,16H;1H
InChIKeyXSZKQVYXAQSNCT-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.86
Rot. Bonds3

About 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride

2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride (PubChem CID 23650677) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride
PubChem CID23650677
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C23H15N3O.ClH/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;/h1-14,16H;1H
InChIKeyXSZKQVYXAQSNCT-UHFFFAOYSA-N
XLogP4.86
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 175689737
CID 175689737
2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 22318982
2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 10155666
2-[1-[3-(cyanomethyl)phenyl]-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 10221864
2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 150641386
2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile
CID 22318960
2-[1-[3-[1-(dimethylamino)ethoxy]phenyl]-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 22319165
3-(2-chlorophenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
CID 10269791
2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile
CID 22319143
2-(2-oxo-5-phenyl-1-pyridin-2-yl-3-pyridinyl)benzonitrile
CID 10132540
2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile
CID 22319134
2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile
CID 22318990

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride?
The IUPAC name of 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride (CID 23650677) is 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride.
What is the SMILES notation for 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride?
The canonical SMILES for 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride is Cl.N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.
What is the InChIKey of 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride?
The InChIKey is XSZKQVYXAQSNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O.ClH/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;/h1-14,16H;1H.
What are the key properties of 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride?
2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride has a molecular weight of 385.85 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride is sourced from PubChem (CID 23650677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).