Basic information
- Standard SMILES
CNC(=O)C(NC(=O)c1ccc(C2CC2)c(OCc2ccccn2)n1)C(C)(C)C- InChIKey
PTJUDNXMKSXQFH-UHFFFAOYSA-N- Molecular formula
- C22H28N4O3
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.21614077
Names & identifiers
- Preferred name
- 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide
- IUPAC
- 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide
Names & synonyms
SCHEMBL14152592
Database identifiers
- PubChem CID
- 71087809
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Related reactions
1 records
Compound notes
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