Basic information
- Standard SMILES
CCC(CC)(NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(=O)O- InChIKey
XDTGERQAJDMMAN-UHFFFAOYSA-N- Molecular formula
- C22H25FN2O3
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- 2-{[5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid
- IUPAC
- 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid
Names & synonyms
CHEMBL3931943SCHEMBL14152786XDTGERQAJDMMAN-UHFFFAOYSA-NBDBM210667US9290451, 3332-{[5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid
Database identifiers
- PubChem CID
- 71087929
- ChEMBL
CHEMBL3931943
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 554
Related reactions
3 records
Compound notes
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