2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide

C23H21N3O2S — CID 55611749

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1
InChIInChI=1S/C23H21N3O2S/c1-14-5-9-20(15(2)12-14)29-23-18(4-3-11-24-23)22(28)25-17-7-8-19-16(13-17)6-10-21(27)26-19/h3-5,7-9,11-13H,6,10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyVRAKOTKHCLADFG-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.99
Rot. Bonds4

About 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide

2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide (PubChem CID 55611749) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
PubChem CID55611749
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1
InChIInChI=1S/C23H21N3O2S/c1-14-5-9-20(15(2)12-14)29-23-18(4-3-11-24-23)22(28)25-17-7-8-19-16(13-17)6-10-21(27)26-19/h3-5,7-9,11-13H,6,10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyVRAKOTKHCLADFG-UHFFFAOYSA-N
XLogP4.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 55484319
N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 26727774
2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 60615984
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
2-(2,4-dimethylphenyl)sulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 32625665
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55654288
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27555740
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)naphthalene-1-carboxamide
CID 40947091
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55435410
2-(2,5-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24628498
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide (CID 55611749) is 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide?
The InChIKey is VRAKOTKHCLADFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-14-5-9-20(15(2)12-14)29-23-18(4-3-11-24-23)22(28)25-17-7-8-19-16(13-17)6-10-21(27)26-19/h3-5,7-9,11-13H,6,10H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.99, 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-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55611749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).