N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide

C26H27N3O2S — CID 24655240

IUPACN-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O2S/c1-18-10-11-19(2)23(17-18)32-25-22(9-6-14-27-25)26(31)29-15-12-21(13-16-29)28-24(30)20-7-4-3-5-8-20/h3-11,14,17,21H,12-13,15-16H2,1-2H3,(H,28,30)
InChIKeyPHCVBVNSQHZOPL-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.88
Rot. Bonds5

About N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide

N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide (PubChem CID 24655240) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
PubChem CID24655240
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC NameN-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O2S/c1-18-10-11-19(2)23(17-18)32-25-22(9-6-14-27-25)26(31)29-15-12-21(13-16-29)28-24(30)20-7-4-3-5-8-20/h3-11,14,17,21H,12-13,15-16H2,1-2H3,(H,28,30)
InChIKeyPHCVBVNSQHZOPL-UHFFFAOYSA-N
XLogP4.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide
CID 24655239
ethyl 4-[[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 24654691
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55848235
N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 38196668
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
methyl 1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 51153841
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508392
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24660892
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide (CID 24655240) is N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide is Cc1ccc(C)c(Sc2ncccc2C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is PHCVBVNSQHZOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-18-10-11-19(2)23(17-18)32-25-22(9-6-14-27-25)26(31)29-15-12-21(13-16-29)28-24(30)20-7-4-3-5-8-20/h3-11,14,17,21H,12-13,15-16H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide?
N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 24655240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).