N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide

C18H22BrN5O4S — CID 55815707

IUPACN-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)n(C)c1
InChIInChI=1S/C18H22BrN5O4S/c1-20-29(27,28)14-8-15(23(2)11-14)18(26)24-7-3-4-12(10-24)17(25)22-16-6-5-13(19)9-21-16/h5-6,8-9,11-12,20H,3-4,7,10H2,1-2H3,(H,21,22,25)
InChIKeyNIIIVSZUYKJIBV-UHFFFAOYSA-N
MW484.38 g/mol
LogP1.58
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide (PubChem CID 55815707) has the molecular formula C18H22BrN5O4S and a molecular weight of 484.38 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide
PubChem CID55815707
Molecular FormulaC18H22BrN5O4S
Molecular Weight484.38 g/mol
Exact Mass483.06
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)n(C)c1
InChIInChI=1S/C18H22BrN5O4S/c1-20-29(27,28)14-8-15(23(2)11-14)18(26)24-7-3-4-12(10-24)17(25)22-16-6-5-13(19)9-21-16/h5-6,8-9,11-12,20H,3-4,7,10H2,1-2H3,(H,21,22,25)
InChIKeyNIIIVSZUYKJIBV-UHFFFAOYSA-N
XLogP1.58
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide (CID 55815707) is N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide is CNS(=O)(=O)c1cc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)n(C)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is NIIIVSZUYKJIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5O4S/c1-20-29(27,28)14-8-15(23(2)11-14)18(26)24-7-3-4-12(10-24)17(25)22-16-6-5-13(19)9-21-16/h5-6,8-9,11-12,20H,3-4,7,10H2,1-2H3,(H,21,22,25).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 484.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 55815707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).