4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

C15H16N2O3S — CID 3120898

IUPAC4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCOc1ccc(OC)c(C2CC(=O)NC(SC)=C2C#N)c1
InChIInChI=1S/C15H16N2O3S/c1-19-9-4-5-13(20-2)11(6-9)10-7-14(18)17-15(21-3)12(10)8-16/h4-6,10H,7H2,1-3H3,(H,17,18)
InChIKeyQQTQWEXHIMBIPQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.41
Rot. Bonds4

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

4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 3120898) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID3120898
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCOc1ccc(OC)c(C2CC(=O)NC(SC)=C2C#N)c1
InChIInChI=1S/C15H16N2O3S/c1-19-9-4-5-13(20-2)11(6-9)10-7-14(18)17-15(21-3)12(10)8-16/h4-6,10H,7H2,1-3H3,(H,17,18)
InChIKeyQQTQWEXHIMBIPQ-UHFFFAOYSA-N
XLogP2.41
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 3120898) is 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is COc1ccc(OC)c(C2CC(=O)NC(SC)=C2C#N)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is QQTQWEXHIMBIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-19-9-4-5-13(20-2)11(6-9)10-7-14(18)17-15(21-3)12(10)8-16/h4-6,10H,7H2,1-3H3,(H,17,18).
What are the key properties of 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 304.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 3120898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).