4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C20H16N2O — CID 19656626

IUPAC4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3cccc(C)c3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C20H16N2O/c1-13-6-8-15(9-7-13)19-11-17(18(12-21)20(23)22-19)16-5-3-4-14(2)10-16/h3-11H,1-2H3,(H,22,23)
InChIKeyFTNXQWHLGLOHCU-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.20
Rot. Bonds2

About 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656626) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656626
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3cccc(C)c3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C20H16N2O/c1-13-6-8-15(9-7-13)19-11-17(18(12-21)20(23)22-19)16-5-3-4-14(2)10-16/h3-11H,1-2H3,(H,22,23)
InChIKeyFTNXQWHLGLOHCU-UHFFFAOYSA-N
XLogP4.20
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dihydro-2-oxo-4,6-diphenyl-3-pyridinecarbonitrile
CID 368861
4-Methyl-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 2814576
2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 260511
2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile
CID 3557159
6-Methyl-4,6-bis(4-methylphenyl)-2-oxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile
CID 23736802
2-Methyl-4-(4-methylphenyl)-6-oxo-2-pentyl-1,3-dihydropyridine-5-carbonitrile
CID 89606502
2,4-Bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362682
2-(4-Tert-butylphenyl)-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362687
4-(4-Methylphenyl)-6-oxo-2-(4-pentylphenyl)-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362699
Mls002704047
CID 268176
2,3,5,6,7,8-hexahydro-3-oxo-1-phenyl-4-Isoquinolinecarbonitrile
CID 658196
4-(Trifluoromethyl)-1,2-dihydro-2-oxo-6-p-tolylpyridine-3-carbonitrile
CID 3139769

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656626) is 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3cccc(C)c3)c(C#N)c(=O)[nH]2)cc1.
What is the InChIKey of 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FTNXQWHLGLOHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-13-6-8-15(9-7-13)19-11-17(18(12-21)20(23)22-19)16-5-3-4-14(2)10-16/h3-11H,1-2H3,(H,22,23).
What are the key properties of 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).