N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide

C21H17N3OS — CID 26727774

IUPACN-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C21H17N3OS/c1-14-8-9-19(15(2)11-14)26-21-18(7-4-10-23-21)20(25)24-17-6-3-5-16(12-17)13-22/h3-12H,1-2H3,(H,24,25)
InChIKeyNPBYCFYJVLQUQZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.97
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide

N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 26727774) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID26727774
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C21H17N3OS/c1-14-8-9-19(15(2)11-14)26-21-18(7-4-10-23-21)20(25)24-17-6-3-5-16(12-17)13-22/h3-12H,1-2H3,(H,24,25)
InChIKeyNPBYCFYJVLQUQZ-UHFFFAOYSA-N
XLogP4.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55654288
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 55484319
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
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
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55435410
2-(2,4-dimethylphenyl)sulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 32625665
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
2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 55870004
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (CID 26727774) is N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)Nc2cccc(C#N)c2)c(C)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is NPBYCFYJVLQUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-14-8-9-19(15(2)11-14)26-21-18(7-4-10-23-21)20(25)24-17-6-3-5-16(12-17)13-22/h3-12H,1-2H3,(H,24,25).
What are the key properties of N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 26727774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).