5-Chloro-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid ((S)-2,2-dimethyl-1-methylcarbamoyl-propyl)-amide

HCID 76282249
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Basic information

Standard SMILES
CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1)C(C)(C)C
InChIKey
WDYJUOUECDTFRD-LLVKDONJSA-N
Molecular formula
C15H19ClF3N3O3
Average molar mass
381.78 g/mol

Names & identifiers

Preferred name
5-Chloro-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid ((S)-2,2-dimethyl-1-methylcarbamoyl-propyl)-amide
IUPAC
5-chloro-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

Names & synonyms

5-Chloro-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid ((S)-2,2-dimethyl-1-methylcarbamoyl-propyl)-amideCHEMBL4114825SCHEMBL15790151BDBM240309US9409866, 24

Database identifiers

PubChem CID
76282249
ChEMBL
CHEMBL4114825

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
80.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
25

Related reactions

1 records
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Compound notes

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