2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide

C23H22N4O2S — CID 55484319

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2ccc(N3CCNC3=O)cc2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-15-5-10-20(16(2)14-15)30-22-19(4-3-11-24-22)21(28)26-17-6-8-18(9-7-17)27-13-12-25-23(27)29/h3-11,14H,12-13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyMGGCRJCKHKKHCE-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.63
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide

2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 55484319) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID55484319
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2ccc(N3CCNC3=O)cc2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-15-5-10-20(16(2)14-15)30-22-19(4-3-11-24-22)21(28)26-17-6-8-18(9-7-17)27-13-12-25-23(27)29/h3-11,14H,12-13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyMGGCRJCKHKKHCE-UHFFFAOYSA-N
XLogP4.63
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24628498
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-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 32625665
N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 26727774
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
CID 32626227
2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 60615984
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55654288
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55435410
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (CID 55484319) is 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(N3CCNC3=O)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is MGGCRJCKHKKHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-15-5-10-20(16(2)14-15)30-22-19(4-3-11-24-22)21(28)26-17-6-8-18(9-7-17)27-13-12-25-23(27)29/h3-11,14H,12-13H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.63, 5 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-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55484319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).