Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2c(C)noc2c1- InChIKey
WQVJHWCYXCBVCX-UHFFFAOYSA-N- Molecular formula
- C25H24N4O2
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.18992602
Names & identifiers
- Preferred name
- N-[4-Methyl-3-(3-methyl-1,2-benzisoxazol-6-yl)phenyl]-2-pyrrolidin-1-ylisonicotinamide
- IUPAC
- N-[4-methyl-3-(3-methyl-1,2-benzoxazol-6-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
Names & synonyms
SCHEMBL3529871WQVJHWCYXCBVCX-UHFFFAOYSA-NN-[4-Methyl-3-(3-methyl-1,2-benzisoxazol-6-yl)phenyl]-2-pyrrolidin-1-ylisonicotinamide
Database identifiers
- PubChem CID
- 10364356
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 625
Related reactions
2 records
Compound notes
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