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

C14H14N2O2S — CID 2854623

IUPAC4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCOc1cccc(C2CC(=O)NC(SC)=C2C#N)c1
InChIInChI=1S/C14H14N2O2S/c1-18-10-5-3-4-9(6-10)11-7-13(17)16-14(19-2)12(11)8-15/h3-6,11H,7H2,1-2H3,(H,16,17)
InChIKeyLSXPCXXYWVXMCA-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.40
Rot. Bonds3

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

4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 2854623) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID2854623
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCOc1cccc(C2CC(=O)NC(SC)=C2C#N)c1
InChIInChI=1S/C14H14N2O2S/c1-18-10-5-3-4-9(6-10)11-7-13(17)16-14(19-2)12(11)8-15/h3-6,11H,7H2,1-2H3,(H,16,17)
InChIKeyLSXPCXXYWVXMCA-UHFFFAOYSA-N
XLogP2.40
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 2854623) is 4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is COc1cccc(C2CC(=O)NC(SC)=C2C#N)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is LSXPCXXYWVXMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-10-5-3-4-9(6-10)11-7-13(17)16-14(19-2)12(11)8-15/h3-6,11H,7H2,1-2H3,(H,16,17).
What are the key properties of 4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 274.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 2854623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).