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

C15H16N2O2S — CID 3120798

IUPAC6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1
InChIInChI=1S/C15H16N2O2S/c1-3-20-15-12(9-16)11(8-14(18)17-15)10-6-4-5-7-13(10)19-2/h4-7,11H,3,8H2,1-2H3,(H,17,18)
InChIKeyFOUQIOQNPRFJQK-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.79
Rot. Bonds4

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

6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 3120798) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID3120798
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1
InChIInChI=1S/C15H16N2O2S/c1-3-20-15-12(9-16)11(8-14(18)17-15)10-6-4-5-7-13(10)19-2/h4-7,11H,3,8H2,1-2H3,(H,17,18)
InChIKeyFOUQIOQNPRFJQK-UHFFFAOYSA-N
XLogP2.79
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 3120798) is 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is CCSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1.
What is the InChIKey of 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is FOUQIOQNPRFJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-20-15-12(9-16)11(8-14(18)17-15)10-6-4-5-7-13(10)19-2/h4-7,11H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 288.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 3120798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).