2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C24H25N3O3S — CID 24660892

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1C
InChIInChI=1S/C24H25N3O3S/c1-16-5-6-20(14-17(16)2)31-23-21(4-3-10-25-23)22(28)26-19-7-11-27(12-8-19)24(29)18-9-13-30-15-18/h3-6,9-10,13-15,19H,7-8,11-12H2,1-2H3,(H,26,28)
InChIKeyDZKALUFNMALXJE-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.48
Rot. Bonds5

About 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 24660892) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID24660892
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1C
InChIInChI=1S/C24H25N3O3S/c1-16-5-6-20(14-17(16)2)31-23-21(4-3-10-25-23)22(28)26-19-7-11-27(12-8-19)24(29)18-9-13-30-15-18/h3-6,9-10,13-15,19H,7-8,11-12H2,1-2H3,(H,26,28)
InChIKeyDZKALUFNMALXJE-UHFFFAOYSA-N
XLogP4.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
CID 24655239
2-(3,4-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 134037313
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55848235
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 38215093
ethyl 1-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 32618409
N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
CID 24655240
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 55331030
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
ethyl 4-[[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 24654691

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 24660892) is 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is DZKALUFNMALXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16-5-6-20(14-17(16)2)31-23-21(4-3-10-25-23)22(28)26-19-7-11-27(12-8-19)24(29)18-9-13-30-15-18/h3-6,9-10,13-15,19H,7-8,11-12H2,1-2H3,(H,26,28).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24660892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).