1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile

C20H15ClN2OS — CID 1476671

IUPAC1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2)c(=O)c1C#N
InChIInChI=1S/C20H15ClN2OS/c1-25-19-11-18(15-5-3-2-4-6-15)23(20(24)17(19)12-22)13-14-7-9-16(21)10-8-14/h2-11H,13H2,1H3
InChIKeyAYJYUQHIQBZBSC-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.81
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile

1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile (PubChem CID 1476671) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
PubChem CID1476671
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2)c(=O)c1C#N
InChIInChI=1S/C20H15ClN2OS/c1-25-19-11-18(15-5-3-2-4-6-15)23(20(24)17(19)12-22)13-14-7-9-16(21)10-8-14/h2-11H,13H2,1H3
InChIKeyAYJYUQHIQBZBSC-UHFFFAOYSA-N
XLogP4.81
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile (CID 1476671) is 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile is CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2)c(=O)c1C#N.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The InChIKey is AYJYUQHIQBZBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c1-25-19-11-18(15-5-3-2-4-6-15)23(20(24)17(19)12-22)13-14-7-9-16(21)10-8-14/h2-11H,13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile?
1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile has a molecular weight of 366.87 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1476671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).