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

C17H18N2OS — CID 32620499

IUPACN-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C17H18N2OS/c1-11-5-8-15(12(2)10-11)21-17-14(4-3-9-18-17)16(20)19-13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H,19,20)
InChIKeyWMPPOBHZOUHLSB-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.74
Rot. Bonds4

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

N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 32620499) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID32620499
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C17H18N2OS/c1-11-5-8-15(12(2)10-11)21-17-14(4-3-9-18-17)16(20)19-13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H,19,20)
InChIKeyWMPPOBHZOUHLSB-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 60615984
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55848235
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'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
ethyl 4-[[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 24654691
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 55609530
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 55870004
methyl 1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 51153841
N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
CID 24655240

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (CID 32620499) is N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)NC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is WMPPOBHZOUHLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-5-8-15(12(2)10-11)21-17-14(4-3-9-18-17)16(20)19-13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H,19,20).
What are the key properties of N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 32620499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).