Basic information
- Standard SMILES
CCC(CC)(NC(=O)c1ccc(N2CCC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC- InChIKey
PNKMGWWBPULYAC-UHFFFAOYSA-N- Molecular formula
- C21H30F2N4O3
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.22859716
Names & identifiers
- Preferred name
- 6-Cyclopropylmethoxy-5-(3,3-difluoro-pyrrolidin-1-yl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
- IUPAC
- 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
Names & synonyms
6-Cyclopropylmethoxy-5-(3,3-difluoro-pyrrolidin-1-yl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amideCHEMBL3917914SCHEMBL14167421BDBM210302US9290451, 78
Database identifiers
- PubChem CID
- 71093604
- ChEMBL
CHEMBL3917914
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 625
Related reactions
3 records
Compound notes
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