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

C19H20N2OS — CID 168586224

IUPAC4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(SC3CCCCC3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H20N2OS/c1-13-11-17(18(12-20)19(22)21-13)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h7-11,15H,2-6H2,1H3,(H,21,22)
InChIKeyYDLVAWFJQGPQBC-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.65
Rot. Bonds3

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

4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586224) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586224
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(SC3CCCCC3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H20N2OS/c1-13-11-17(18(12-20)19(22)21-13)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h7-11,15H,2-6H2,1H3,(H,21,22)
InChIKeyYDLVAWFJQGPQBC-UHFFFAOYSA-N
XLogP4.65
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168587001
6-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585756
6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585767
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
4-(2-cyclopentyloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587268
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138
4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586115
6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile
CID 168585262

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586224) is 4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(SC3CCCCC3)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YDLVAWFJQGPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-13-11-17(18(12-20)19(22)21-13)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h7-11,15H,2-6H2,1H3,(H,21,22).
What are the key properties of 4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 324.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).