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

C23H16N4O — CID 22319143

IUPAC2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C23H16N4O/c24-15-17-8-4-5-12-21(17)26-22-14-18(20-11-6-7-13-25-20)16-27(23(22)28)19-9-2-1-3-10-19/h1-14,16,26H
InChIKeyMTZOLTPNBYLIAB-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.51
Rot. Bonds4

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

2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile (PubChem CID 22319143) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile
PubChem CID22319143
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C23H16N4O/c24-15-17-8-4-5-12-21(17)26-22-14-18(20-11-6-7-13-25-20)16-27(23(22)28)19-9-2-1-3-10-19/h1-14,16,26H
InChIKeyMTZOLTPNBYLIAB-UHFFFAOYSA-N
XLogP4.51
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile?
The IUPAC name of 2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile (CID 22319143) is 2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile?
The canonical SMILES for 2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile is N#Cc1ccccc1Nc1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.
What is the InChIKey of 2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile?
The InChIKey is MTZOLTPNBYLIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-15-17-8-4-5-12-21(17)26-22-14-18(20-11-6-7-13-25-20)16-27(23(22)28)19-9-2-1-3-10-19/h1-14,16,26H.
What are the key properties of 2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile?
2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile has a molecular weight of 364.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 22319143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).