4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile

C9H10N2OS — CID 126997451

IUPAC4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCSCn1ccc(C)c(C#N)c1=O
InChIInChI=1S/C9H10N2OS/c1-7-3-4-11(6-13-2)9(12)8(7)5-10/h3-4H,6H2,1-2H3
InChIKeyDIIUEFDLOWEUBO-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.35
Rot. Bonds2

About 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile

4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 126997451) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
PubChem CID126997451
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCSCn1ccc(C)c(C#N)c1=O
InChIInChI=1S/C9H10N2OS/c1-7-3-4-11(6-13-2)9(12)8(7)5-10/h3-4H,6H2,1-2H3
InChIKeyDIIUEFDLOWEUBO-UHFFFAOYSA-N
XLogP1.35
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82113564
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 75522082
4-methyl-2-oxo-1-(3-propan-2-ylsulfonylpropyl)pyridine-3-carbonitrile
CID 75477706
N-(1-cyano-1-cyclopropylethyl)-2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetamide
CID 75507373
4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile
CID 86795241
N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide
CID 86795344
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 86795250
1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117100
1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 86795350
4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile
CID 75505849
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 75505848

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile (CID 126997451) is 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile is CSCn1ccc(C)c(C#N)c1=O.
What is the InChIKey of 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is DIIUEFDLOWEUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-7-3-4-11(6-13-2)9(12)8(7)5-10/h3-4H,6H2,1-2H3.
What are the key properties of 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile?
4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 126997451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).