6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile

C19H16N2OS — CID 3142264

IUPAC6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESN#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccccc1
InChIInChI=1S/C19H16N2OS/c20-12-17-16(15-9-5-2-6-10-15)11-18(22)21-19(17)23-13-14-7-3-1-4-8-14/h1-10,16H,11,13H2,(H,21,22)
InChIKeyKNKSAQZCBJITEX-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.96
Rot. Bonds4

About 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile

6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 3142264) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID3142264
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESN#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccccc1
InChIInChI=1S/C19H16N2OS/c20-12-17-16(15-9-5-2-6-10-15)11-18(22)21-19(17)23-13-14-7-3-1-4-8-14/h1-10,16H,11,13H2,(H,21,22)
InChIKeyKNKSAQZCBJITEX-UHFFFAOYSA-N
XLogP3.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 3142264) is 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile is N#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccccc1.
What is the InChIKey of 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is KNKSAQZCBJITEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c20-12-17-16(15-9-5-2-6-10-15)11-18(22)21-19(17)23-13-14-7-3-1-4-8-14/h1-10,16H,11,13H2,(H,21,22).
What are the key properties of 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 320.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 3142264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).