2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile

C17H11N3O — CID 134820680

IUPAC2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H11N3O/c18-11-15-14(12-6-8-19-9-7-12)10-16(20-17(15)21)13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChIKeyADMDRQQEFKKETP-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.98
Rot. Bonds2

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

2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile (PubChem CID 134820680) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
PubChem CID134820680
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H11N3O/c18-11-15-14(12-6-8-19-9-7-12)10-16(20-17(15)21)13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChIKeyADMDRQQEFKKETP-UHFFFAOYSA-N
XLogP2.98
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 11493199
2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 146048213
2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 13088650
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656382
4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656648
4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656390
6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
CID 724369
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767882
6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767973
3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one
CID 18467201

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile (CID 134820680) is 2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccncc2)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The InChIKey is ADMDRQQEFKKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c18-11-15-14(12-6-8-19-9-7-12)10-16(20-17(15)21)13-4-2-1-3-5-13/h1-10H,(H,20,21).
What are the key properties of 2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile?
2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile has a molecular weight of 273.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 134820680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).