Basic information
- Standard SMILES
CNC(=O)[C@@H](NC(=O)c1cc(OC2COC2)c(Cl)cn1)C(C)(C)C- InChIKey
XCFGBTFRPQHTFV-CYBMUJFWSA-N- Molecular formula
- C16H22ClN3O4
- Average molar mass
- 355.81 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-4-(oxetan-3-yloxy)-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-(oxetan-3-yloxy)pyridine-2-carboxamide
Names & synonyms
CHEMBL4107424SCHEMBL15790110XCFGBTFRPQHTFV-CYBMUJFWSA-NBDBM240308US9409866, 235-Chloro-4-(oxetan-3-yloxy)-pyridine-2-carboxylic acid ((S)-2,2-dimethyl-1-methylcarbamoyl-propyl)-amide
Database identifiers
- PubChem CID
- 76282250
- ChEMBL
CHEMBL4107424
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 465
Related reactions
1 records
Compound notes
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