N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide

C23H21BrN4O2S — CID 55812829

IUPACN-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1
InChIInChI=1S/C23H21BrN4O2S/c24-17-8-9-20(26-15-17)27-21(29)16-10-13-28(14-11-16)23(30)19-7-4-12-25-22(19)31-18-5-2-1-3-6-18/h1-9,12,15-16H,10-11,13-14H2,(H,26,27,29)
InChIKeyGEJXOTAYTAELRA-UHFFFAOYSA-N
MW497.42 g/mol
LogP4.88
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55812829) has the molecular formula C23H21BrN4O2S and a molecular weight of 497.42 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID55812829
Molecular FormulaC23H21BrN4O2S
Molecular Weight497.42 g/mol
Exact Mass496.06
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1
InChIInChI=1S/C23H21BrN4O2S/c24-17-8-9-20(26-15-17)27-21(29)16-10-13-28(14-11-16)23(30)19-7-4-12-25-22(19)31-18-5-2-1-3-6-18/h1-9,12,15-16H,10-11,13-14H2,(H,26,27,29)
InChIKeyGEJXOTAYTAELRA-UHFFFAOYSA-N
XLogP4.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenylsulfanyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 78774467
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
CID 55930750
[2-(4-bromophenyl)sulfanyl-3-pyridinyl]-(4-ethoxypiperidin-1-yl)methanone
CID 55976720
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
N-(5-bromo-2-pyridinyl)-1-(4-cyclohexylbenzoyl)piperidine-4-carboxamide
CID 55812799
N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide
CID 55932037
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55930639

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide (CID 55812829) is N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is GEJXOTAYTAELRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O2S/c24-17-8-9-20(26-15-17)27-21(29)16-10-13-28(14-11-16)23(30)19-7-4-12-25-22(19)31-18-5-2-1-3-6-18/h1-9,12,15-16H,10-11,13-14H2,(H,26,27,29).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 497.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55812829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).