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

C15H16N2OS — CID 2999088

IUPAC6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1
InChIInChI=1S/C15H16N2OS/c1-3-19-15-13(9-16)12(8-14(18)17-15)11-7-5-4-6-10(11)2/h4-7,12H,3,8H2,1-2H3,(H,17,18)
InChIKeyWDGFOVRMNXEAMU-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.09
Rot. Bonds3

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

6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 2999088) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID2999088
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1
InChIInChI=1S/C15H16N2OS/c1-3-19-15-13(9-16)12(8-14(18)17-15)11-7-5-4-6-10(11)2/h4-7,12H,3,8H2,1-2H3,(H,17,18)
InChIKeyWDGFOVRMNXEAMU-UHFFFAOYSA-N
XLogP3.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 2999088) is 6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is CCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1.
What is the InChIKey of 6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is WDGFOVRMNXEAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-19-15-13(9-16)12(8-14(18)17-15)11-7-5-4-6-10(11)2/h4-7,12H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 272.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 2999088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).