4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

C17H18N2O2S — CID 717110

IUPAC4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1
InChIInChI=1S/C17H18N2O2S/c1-10-4-6-13(7-5-10)14(20)9-22-17-15(16(18)21)11(2)8-12(3)19-17/h4-8H,9H2,1-3H3,(H2,18,21)
InChIKeyMWMAPEHVMCKGKF-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.08
Rot. Bonds5

About 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (PubChem CID 717110) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
PubChem CID717110
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1
InChIInChI=1S/C17H18N2O2S/c1-10-4-6-13(7-5-10)14(20)9-22-17-15(16(18)21)11(2)8-12(3)19-17/h4-8H,9H2,1-3H3,(H2,18,21)
InChIKeyMWMAPEHVMCKGKF-UHFFFAOYSA-N
XLogP3.08
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Benzylsulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 720466
6-Methyl-2-((2-oxo-2-phenylethyl)sulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 569520
2-[2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetylamino]-benzamide
CID 655086
2-{[2-(4-Methylphenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile
CID 690226
5-Acetyl-2-(2-cyano-benzylsulfanyl)-6-methyl-nicotinonitrile
CID 792263
3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 983945
N-{4-[2-(3-Ethyl-7-methyl-quinolin-2-ylsulfanyl)-acetyl]-phenyl}-acetamide
CID 1440469
3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 2241259
4,6-Dimethyl-N-(3-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxamide
CID 16014814
1-(3,4-Dimethylphenyl)-2-[(4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)thio]ethanone
CID 135423599
4,6-Dimethyl-2-methylsulfanyl-nicotinamide
CID 601656
4,6-Dimethyl-2-propylsulfanyl-nicotinamide
CID 2906254

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (CID 717110) is 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is Cc1ccc(C(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1.
What is the InChIKey of 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is MWMAPEHVMCKGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-10-4-6-13(7-5-10)14(20)9-22-17-15(16(18)21)11(2)8-12(3)19-17/h4-8H,9H2,1-3H3,(H2,18,21).
What are the key properties of 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 717110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).