6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile

C18H13N3O — CID 12749108

IUPAC6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C18H13N3O/c19-12-16-15(13-7-3-1-4-8-13)11-17(21-18(16)22)20-14-9-5-2-6-10-14/h1-11H,(H2,20,21,22)
InChIKeyDAZBECNQLGIDNB-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.66
Rot. Bonds3

About 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile

6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 12749108) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
PubChem CID12749108
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C18H13N3O/c19-12-16-15(13-7-3-1-4-8-13)11-17(21-18(16)22)20-14-9-5-2-6-10-14/h1-11H,(H2,20,21,22)
InChIKeyDAZBECNQLGIDNB-UHFFFAOYSA-N
XLogP3.66
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile (CID 12749108) is 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(Nc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is DAZBECNQLGIDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-12-16-15(13-7-3-1-4-8-13)11-17(21-18(16)22)20-14-9-5-2-6-10-14/h1-11H,(H2,20,21,22).
What are the key properties of 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 12749108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).