(4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

C24H20N2OS — CID 1121467

IUPAC(4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCc1ccccc1[C@@H]1CC(=O)NC(SCc2cccc3ccccc23)=C1C#N
InChIInChI=1S/C24H20N2OS/c1-16-7-2-4-11-19(16)21-13-23(27)26-24(22(21)14-25)28-15-18-10-6-9-17-8-3-5-12-20(17)18/h2-12,21H,13,15H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeySDSMJIPOWRSGHY-NRFANRHFSA-N
MW384.50 g/mol
LogP5.42
Rot. Bonds4

About (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

(4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 1121467) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name(4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID1121467
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Name(4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCc1ccccc1[C@@H]1CC(=O)NC(SCc2cccc3ccccc23)=C1C#N
InChIInChI=1S/C24H20N2OS/c1-16-7-2-4-11-19(16)21-13-23(27)26-24(22(21)14-25)28-15-18-10-6-9-17-8-3-5-12-20(17)18/h2-12,21H,13,15H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeySDSMJIPOWRSGHY-NRFANRHFSA-N
XLogP5.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile with MolForge

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Related Compounds

(4R)-6-ethylsulfanyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 6935903
ethyl 2-[(5-cyano-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate
CID 3547344
2-[[(4S)-5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide
CID 1311015
N-(3-chloro-2-methylphenyl)-2-[[(4R)-5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1315413
(4R)-6-benzylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 1068404
6-[(2-chlorophenyl)methylsulfanyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 2909923
2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 4318409
2-[[(4R)-5-cyano-4-(2,3-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 1050739
(4S)-6-[(2-fluorophenyl)methylsulfanyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 126137393
(4R)-6-[(2-fluorophenyl)methylsulfanyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 126137390
(4S)-4-(2,3-dichlorophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 746254
(4R)-6-benzylsulfanyl-4-(4-ethylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 697822

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 1121467) is (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is Cc1ccccc1[C@@H]1CC(=O)NC(SCc2cccc3ccccc23)=C1C#N.
What is the InChIKey of (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is SDSMJIPOWRSGHY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-16-7-2-4-11-19(16)21-13-23(27)26-24(22(21)14-25)28-15-18-10-6-9-17-8-3-5-12-20(17)18/h2-12,21H,13,15H2,1H3,(H,26,27)/t21-/m0/s1.
What are the key properties of (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
(4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 384.50 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 1121467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).