4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide

C9H12N2OS — CID 601656

IUPAC4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1nc(C)cc(C)c1C(N)=O
InChIInChI=1S/C9H12N2OS/c1-5-4-6(2)11-9(13-3)7(5)8(10)12/h4H,1-3H3,(H2,10,12)
InChIKeyJKBHMOUWFBUCBV-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.52
Rot. Bonds2

About 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide

4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 601656) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide
PubChem CID601656
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1nc(C)cc(C)c1C(N)=O
InChIInChI=1S/C9H12N2OS/c1-5-4-6(2)11-9(13-3)7(5)8(10)12/h4H,1-3H3,(H2,10,12)
InChIKeyJKBHMOUWFBUCBV-UHFFFAOYSA-N
XLogP1.52
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-
CID 173760
4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide
CID 717110
Ethyl {[3-(aminocarbonyl)-5-ethyl-4,6-dimethyl-2-pyridinyl]thio}acetate
CID 969569
Isothiazolo(5,4-b)pyridin-3(2H)-one, 2-acetyl-4,6-dimethyl-
CID 2816723
Ethyl {[5-acetyl-3-(aminocarbonyl)-6-methyl-2-pyridinyl]thio}acetate
CID 975054
Methyl {[3-(aminocarbonyl)-4,5,6-trimethyl-2-pyridinyl]thio}acetate
CID 2108154
4,6-Dimethyl-2-propylsulfanyl-nicotinamide
CID 2906254
Ethyl 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetate
CID 717108
2-[(4-Acetyl-phenylcarbamoyl)-methylsulfanyl]-4,6-dimethyl-nicotinamide
CID 613984
5-cyano-2,4-dimethyl-6-(methylsulfanyl)-N-phenylnicotinamide
CID 657913
2,6-Dimethylpyridine-3-carboxamide
CID 2824850
4,6-Dimethyl-2-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio}nicotinamide
CID 972613

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide (CID 601656) is 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide is CSc1nc(C)cc(C)c1C(N)=O.
What is the InChIKey of 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is JKBHMOUWFBUCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-5-4-6(2)11-9(13-3)7(5)8(10)12/h4H,1-3H3,(H2,10,12).
What are the key properties of 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide?
4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 196.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 601656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).