2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

C23H16N4O — CID 10155666

IUPAC2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(N)cc2)c1=O
InChIInChI=1S/C23H16N4O/c24-14-16-5-1-2-6-20(16)21-13-17(22-7-3-4-12-26-22)15-27(23(21)28)19-10-8-18(25)9-11-19/h1-13,15H,25H2
InChIKeyGXSSHSBGGFTCBQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.02
Rot. Bonds3

About 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (PubChem CID 10155666) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
PubChem CID10155666
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(N)cc2)c1=O
InChIInChI=1S/C23H16N4O/c24-14-16-5-1-2-6-20(16)21-13-17(22-7-3-4-12-26-22)15-27(23(21)28)19-10-8-18(25)9-11-19/h1-13,15H,25H2
InChIKeyGXSSHSBGGFTCBQ-UHFFFAOYSA-N
XLogP4.02
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (CID 10155666) is 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(N)cc2)c1=O.
What is the InChIKey of 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The InChIKey is GXSSHSBGGFTCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-14-16-5-1-2-6-20(16)21-13-17(22-7-3-4-12-26-22)15-27(23(21)28)19-10-8-18(25)9-11-19/h1-13,15H,25H2.
What are the key properties of 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile has a molecular weight of 364.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 10155666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).