Basic information
- Standard SMILES
CCOC(=O)CN1CCCC(NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1- InChIKey
GBFDRMHEJAPDDP-UHFFFAOYSA-N- Molecular formula
- C26H30N4O5
- Average molar mass
- 478.5 g/mol
Names & identifiers
- Preferred name
- (3-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-piperidin-1-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[3-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carbonyl]amino]piperidin-1-yl]acetate
Names & synonyms
SCHEMBL2930857CHEMBL3676492GBFDRMHEJAPDDP-UHFFFAOYSA-NBDBM133357US8846719, 40(3-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-piperidin-1-yl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 68445346
- ChEMBL
CHEMBL3676492
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 689
Related reactions
17 records
Compound notes
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