2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile

C20H13N3O — CID 12550717

IUPAC2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2[nH]c(=O)c(C#N)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C20H13N3O/c1-13-7-9-15(10-8-13)19-16(11-21)18(14-5-3-2-4-6-14)17(12-22)20(24)23-19/h2-10H,1H3,(H,23,24)
InChIKeyFNALZRGKHNVKEJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.76
Rot. Bonds2

About 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile

2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile (PubChem CID 12550717) has the molecular formula C20H13N3O and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
PubChem CID12550717
Molecular FormulaC20H13N3O
Molecular Weight311.34 g/mol
Exact Mass311.11
IUPAC Name2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2[nH]c(=O)c(C#N)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C20H13N3O/c1-13-7-9-15(10-8-13)19-16(11-21)18(14-5-3-2-4-6-14)17(12-22)20(24)23-19/h2-10H,1H3,(H,23,24)
InChIKeyFNALZRGKHNVKEJ-UHFFFAOYSA-N
XLogP3.76
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile (CID 12550717) is 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile is Cc1ccc(-c2[nH]c(=O)c(C#N)c(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is FNALZRGKHNVKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O/c1-13-7-9-15(10-8-13)19-16(11-21)18(14-5-3-2-4-6-14)17(12-22)20(24)23-19/h2-10H,1H3,(H,23,24).
What are the key properties of 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile?
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 311.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 12550717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).