2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile

C25H17N3O — CID 22319134

IUPAC2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(/C=C/c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C25H17N3O/c26-17-20-8-4-5-12-23(20)24-16-19(13-14-21-9-6-7-15-27-21)18-28(25(24)29)22-10-2-1-3-11-22/h1-16,18H/b14-13+
InChIKeyCADXXMRVYHLQKU-BUHFOSPRSA-N
MW375.43 g/mol
LogP4.94
Rot. Bonds4

About 2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile

2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile (PubChem CID 22319134) has the molecular formula C25H17N3O and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile
PubChem CID22319134
Molecular FormulaC25H17N3O
Molecular Weight375.43 g/mol
Exact Mass375.14
IUPAC Name2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(/C=C/c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C25H17N3O/c26-17-20-8-4-5-12-23(20)24-16-19(13-14-21-9-6-7-15-27-21)18-28(25(24)29)22-10-2-1-3-11-22/h1-16,18H/b14-13+
InChIKeyCADXXMRVYHLQKU-BUHFOSPRSA-N
XLogP4.94
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile (CID 22319134) is 2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(/C=C/c2ccccn2)cn(-c2ccccc2)c1=O.
What is the InChIKey of 2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile?
The InChIKey is CADXXMRVYHLQKU-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H17N3O/c26-17-20-8-4-5-12-23(20)24-16-19(13-14-21-9-6-7-15-27-21)18-28(25(24)29)22-10-2-1-3-11-22/h1-16,18H/b14-13+.
What are the key properties of 2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile?
2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile has a molecular weight of 375.43 g/mol, XLogP of 4.94, 4 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-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 22319134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).