2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile

C14H9N3O — CID 14269650

IUPAC2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C14H9N3O/c1-9-11(7-15)13(10-5-3-2-4-6-10)12(8-16)14(18)17-9/h2-6H,1H3,(H,17,18)
InChIKeyBBVFHMKZXJBCSW-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.09
Rot. Bonds1

About 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile

2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile (PubChem CID 14269650) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
PubChem CID14269650
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C14H9N3O/c1-9-11(7-15)13(10-5-3-2-4-6-10)12(8-16)14(18)17-9/h2-6H,1H3,(H,17,18)
InChIKeyBBVFHMKZXJBCSW-UHFFFAOYSA-N
XLogP2.09
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 15149452
6-methyl-4-(4-nitrophenyl)-2-oxo-5-phenylsulfanyl-1H-pyridine-3-carbonitrile
CID 15359746
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
5,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 139215856
2-amino-4-[4-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393917
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 71574198
5-[(2,6-dimethylphenyl)diazenyl]-2-oxo-4,6-diphenyl-1H-quinoline-3-carbonitrile
CID 102170072
11,13-dimethyl-4-oxo-6-phenyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-5-carbonitrile
CID 172635295
4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile
CID 23828687
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
2-amino-4-(4-methoxy-3-phenylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile (CID 14269650) is 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile is Cc1[nH]c(=O)c(C#N)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is BBVFHMKZXJBCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c1-9-11(7-15)13(10-5-3-2-4-6-10)12(8-16)14(18)17-9/h2-6H,1H3,(H,17,18).
What are the key properties of 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile?
2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 235.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 14269650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).