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

C18H25BrN4O4S — CID 55992546

IUPACN-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)C1
InChIInChI=1S/C18H25BrN4O4S/c1-28(26,27)23-9-3-5-14(12-23)18(25)22-8-2-4-13(11-22)17(24)21-16-7-6-15(19)10-20-16/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,20,21,24)
InChIKeyWRTMBCFKTPHESO-UHFFFAOYSA-N
MW473.39 g/mol
LogP1.69
Rot. Bonds4

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

N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 55992546) has the molecular formula C18H25BrN4O4S and a molecular weight of 473.39 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
PubChem CID55992546
Molecular FormulaC18H25BrN4O4S
Molecular Weight473.39 g/mol
Exact Mass472.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)C1
InChIInChI=1S/C18H25BrN4O4S/c1-28(26,27)23-9-3-5-14(12-23)18(25)22-8-2-4-13(11-22)17(24)21-16-7-6-15(19)10-20-16/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,20,21,24)
InChIKeyWRTMBCFKTPHESO-UHFFFAOYSA-N
XLogP1.69
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 55816046
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 55930745
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119856404
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55815983
N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
CID 60542624
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345085
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345083
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide (CID 55992546) is N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is WRTMBCFKTPHESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O4S/c1-28(26,27)23-9-3-5-14(12-23)18(25)22-8-2-4-13(11-22)17(24)21-16-7-6-15(19)10-20-16/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,20,21,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 473.39 g/mol, XLogP of 1.69, 4 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-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55992546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).