6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid [(S)-1-(3,3-difluoro-azetidine-1-carbonyl)-2,2-dimethyl-propyl]-amide

HCID 71105695
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)[C@H](NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)N1CC(F)(F)C1
InChIKey
UOCNGLIMHYBTAP-MRXNPFEDSA-N
Molecular formula
C22H28F4N4O3
Average molar mass
472.5 g/mol

Names & identifiers

Preferred name
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid [(S)-1-(3,3-difluoro-azetidine-1-carbonyl)-2,2-dimethyl-propyl]-amide
IUPAC
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(3,3-difluoroazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Names & synonyms

6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid [(S)-1-(3,3-difluoro-azetidine-1-carbonyl)-2,2-dimethyl-propyl]-amideCHEMBL4108840SCHEMBL14226344BDBM210629US9290451, 310

Database identifiers

PubChem CID
71105695
ChEMBL
CHEMBL4108840

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
74.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

Loading…