2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide

C18H22N2OS — CID 52895221

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cccnc1Sc1ccc(C)cc1C
InChIInChI=1S/C18H22N2OS/c1-5-20(6-2)18(21)15-8-7-11-19-17(15)22-16-10-9-13(3)12-14(16)4/h7-12H,5-6H2,1-4H3
InChIKeyDELXNIBASYBQGT-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.33
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide

2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide (PubChem CID 52895221) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide
PubChem CID52895221
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cccnc1Sc1ccc(C)cc1C
InChIInChI=1S/C18H22N2OS/c1-5-20(6-2)18(21)15-8-7-11-19-17(15)22-16-10-9-13(3)12-14(16)4/h7-12H,5-6H2,1-4H3
InChIKeyDELXNIBASYBQGT-UHFFFAOYSA-N
XLogP4.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide
CID 112794111
2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 32615829
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
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 55870004
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
N-butyl-1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55949770
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylbutyl)pyridine-3-carboxamide
CID 55848827
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55654288
2-(2,4-dimethylphenyl)sulfanyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55658083
N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 26727774

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide (CID 52895221) is 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1cccnc1Sc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide?
The InChIKey is DELXNIBASYBQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-5-20(6-2)18(21)15-8-7-11-19-17(15)22-16-10-9-13(3)12-14(16)4/h7-12H,5-6H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 52895221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).