6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile

C20H16N2O2S — CID 168585767

IUPAC6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3ccccc3S(C)=O)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C20H16N2O2S/c1-13-11-17(18(12-21)20(23)22-13)15-9-7-14(8-10-15)16-5-3-4-6-19(16)25(2)24/h3-11H,1-2H3,(H,22,23)
InChIKeyJOLUGAXGGUJSHT-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.63
Rot. Bonds3

About 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585767) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585767
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3ccccc3S(C)=O)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C20H16N2O2S/c1-13-11-17(18(12-21)20(23)22-13)15-9-7-14(8-10-15)16-5-3-4-6-19(16)25(2)24/h3-11H,1-2H3,(H,22,23)
InChIKeyJOLUGAXGGUJSHT-UHFFFAOYSA-N
XLogP3.63
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 168584768
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-[4-[(2-bromophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586570
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585141
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 168585767) is 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(-c3ccccc3S(C)=O)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is JOLUGAXGGUJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-11-17(18(12-21)20(23)22-13)15-9-7-14(8-10-15)16-5-3-4-6-19(16)25(2)24/h3-11H,1-2H3,(H,22,23).
What are the key properties of 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 348.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).