2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile

C18H12N2O2 — CID 20617881

IUPAC2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H12N2O2/c19-12-16-15(13-7-3-1-4-8-13)11-17(21)20(18(16)22)14-9-5-2-6-10-14/h1-10H,11H2
InChIKeyCHAXJPGFYQSBHA-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.93
Rot. Bonds2

About 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile

2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile (PubChem CID 20617881) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile
PubChem CID20617881
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H12N2O2/c19-12-16-15(13-7-3-1-4-8-13)11-17(21)20(18(16)22)14-9-5-2-6-10-14/h1-10H,11H2
InChIKeyCHAXJPGFYQSBHA-UHFFFAOYSA-N
XLogP2.93
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile
CID 23558243
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227
2-(4-chloro-3H-1,5-benzodiazepin-2-yl)-6-oxo-1,4-diphenyl-2,3-dihydropyridine-5-carbonitrile
CID 139216673
1-phenyl-3-phenyliminopyrrolidine-2,5-dione
CID 57166178
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 2325122
4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 13438064
1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
CID 22323521
4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile
CID 110561903
2-[5-cyano-6-imino-4-(4-methoxyphenyl)-1-phenyl-3H-pyridin-2-ylidene]propanedinitrile
CID 4247796
(5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile
CID 134106536

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile?
The IUPAC name of 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile (CID 20617881) is 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile.
What is the SMILES notation for 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile?
The canonical SMILES for 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile is N#CC1=C(c2ccccc2)CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile?
The InChIKey is CHAXJPGFYQSBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-12-16-15(13-7-3-1-4-8-13)11-17(21)20(18(16)22)14-9-5-2-6-10-14/h1-10H,11H2.
What are the key properties of 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile?
2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile is sourced from PubChem (CID 20617881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).