2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide

C19H21N3O2S — CID 60615984

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC2CCC(=O)NC2)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-12-5-7-16(13(2)10-12)25-19-15(4-3-9-20-19)18(24)22-14-6-8-17(23)21-11-14/h3-5,7,9-10,14H,6,8,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRVVOEQRGZVCSBE-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.86
Rot. Bonds4

About 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide

2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 60615984) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
PubChem CID60615984
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC2CCC(=O)NC2)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-12-5-7-16(13(2)10-12)25-19-15(4-3-9-20-19)18(24)22-14-6-8-17(23)21-11-14/h3-5,7,9-10,14H,6,8,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRVVOEQRGZVCSBE-UHFFFAOYSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55848235
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
2-(2,4-dimethylphenyl)sulfanyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55658083
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 55611749
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62898689
2-hydroxy-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63373409
2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 55609530

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide (CID 60615984) is 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)NC2CCC(=O)NC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is RVVOEQRGZVCSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-5-7-16(13(2)10-12)25-19-15(4-3-9-20-19)18(24)22-14-6-8-17(23)21-11-14/h3-5,7,9-10,14H,6,8,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 60615984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).