5-Bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide

HCID 89906911
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Basic information

Standard SMILES
CC1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2Br)C1
InChIKey
WVCAIYVPGFSXRX-UHFFFAOYSA-N
Molecular formula
C18H17BrF3N3O3
Average molar mass
460.2 g/mol

Names & identifiers

Preferred name
5-Bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
IUPAC
5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

Names & synonyms

5-Bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15391705DB-1687641491150-10-75-Bromo-6-(3-hydroxy-3-methyl-1-pyrrolidinyl)-N-[4-(trifluoromethoxy)phenyl]-3-pyridinecarboxamide

Database identifiers

PubChem CID
89906911

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
74.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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