ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile

C21H20N2O — CID 142818982

IUPACethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
SMILESCC.Cc1ccc(-c2[nH]c(=O)c(C#N)cc2-c2ccccc2)cc1
InChIInChI=1S/C19H14N2O.C2H6/c1-13-7-9-15(10-8-13)18-17(14-5-3-2-4-6-14)11-16(12-20)19(22)21-18;1-2/h2-11H,1H3,(H,21,22);1-2H3
InChIKeyAXKHDYWFEORYDK-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.92
Rot. Bonds2

About ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile

ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 142818982) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Nameethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
PubChem CID142818982
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Nameethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
SMILESCC.Cc1ccc(-c2[nH]c(=O)c(C#N)cc2-c2ccccc2)cc1
InChIInChI=1S/C19H14N2O.C2H6/c1-13-7-9-15(10-8-13)18-17(14-5-3-2-4-6-14)11-16(12-20)19(22)21-18;1-2/h2-11H,1H3,(H,21,22);1-2H3
InChIKeyAXKHDYWFEORYDK-UHFFFAOYSA-N
XLogP4.92
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 817466
6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 13101635
2-(4-methylphenyl)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 154709543
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171449
5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 82119661
4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 69489200
5-methyl-2,3-diphenyl-1H-pyrrole
CID 19784711
6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171454
5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
CID 135018572
6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120107
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676

Frequently Asked Questions

What is the IUPAC name of ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile (CID 142818982) is ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile is CC.Cc1ccc(-c2[nH]c(=O)c(C#N)cc2-c2ccccc2)cc1.
What is the InChIKey of ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is AXKHDYWFEORYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O.C2H6/c1-13-7-9-15(10-8-13)18-17(14-5-3-2-4-6-14)11-16(12-20)19(22)21-18;1-2/h2-11H,1H3,(H,21,22);1-2H3.
What are the key properties of ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 316.40 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 142818982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).