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

C25H26N4O2S — CID 55848235

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(C)c1
InChIInChI=1S/C25H26N4O2S/c1-17-5-6-22(18(2)16-17)32-24-21(4-3-11-27-24)23(30)28-20-9-14-29(15-10-20)25(31)19-7-12-26-13-8-19/h3-8,11-13,16,20H,9-10,14-15H2,1-2H3,(H,28,30)
InChIKeyJPFISZYZFUXFJW-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.28
Rot. Bonds5

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

2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 55848235) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID55848235
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(C)c1
InChIInChI=1S/C25H26N4O2S/c1-17-5-6-22(18(2)16-17)32-24-21(4-3-11-27-24)23(30)28-20-9-14-29(15-10-20)25(31)19-7-12-26-13-8-19/h3-8,11-13,16,20H,9-10,14-15H2,1-2H3,(H,28,30)
InChIKeyJPFISZYZFUXFJW-UHFFFAOYSA-N
XLogP4.28
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
CID 24655240
2-(2,4-dimethylphenyl)sulfanyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55658083
ethyl 4-[[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 24654691
methyl 1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 51153841
2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24660892
2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 60615984
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
CID 24655239
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 55609530
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995354

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 55848235) is 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JPFISZYZFUXFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-17-5-6-22(18(2)16-17)32-24-21(4-3-11-27-24)23(30)28-20-9-14-29(15-10-20)25(31)19-7-12-26-13-8-19/h3-8,11-13,16,20H,9-10,14-15H2,1-2H3,(H,28,30).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 55848235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).