Basic information
- Standard SMILES
CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C(C)(C)C- InChIKey
BWKBSNKHBAZVMY-GOSISDBHSA-N- Molecular formula
- C22H33N3O4
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.24710654
Names & identifiers
- Preferred name
- (S)-5-Cyclopropyl-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6-((tetrahydro-2H-pyran-4-yl)methoxy)picolinamide
- IUPAC
- 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide
Names & synonyms
CHEMBL4114962SCHEMBL14152105BWKBSNKHBAZVMY-GOSISDBHSA-NBDBM210483US9290451, 195(S)-5-Cyclopropyl-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6-((tetrahydro-2H-pyran-4-yl)methoxy)picolinamide
Database identifiers
- PubChem CID
- 71087532
- ChEMBL
CHEMBL4114962
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 567
Related reactions
2 records
Compound notes
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