4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

C8H10N2OS — CID 659195

IUPAC4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCSC1=C(C#N)C(C)CC(=O)N1
InChIInChI=1S/C8H10N2OS/c1-5-3-7(11)10-8(12-2)6(5)4-9/h5H,3H2,1-2H3,(H,10,11)
InChIKeyHEJNPQQYSRAXEJ-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.24
Rot. Bonds1

About 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 659195) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID659195
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCSC1=C(C#N)C(C)CC(=O)N1
InChIInChI=1S/C8H10N2OS/c1-5-3-7(11)10-8(12-2)6(5)4-9/h5H,3H2,1-2H3,(H,10,11)
InChIKeyHEJNPQQYSRAXEJ-UHFFFAOYSA-N
XLogP1.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 659195) is 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is CSC1=C(C#N)C(C)CC(=O)N1.
What is the InChIKey of 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is HEJNPQQYSRAXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-5-3-7(11)10-8(12-2)6(5)4-9/h5H,3H2,1-2H3,(H,10,11).
What are the key properties of 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 182.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 659195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).