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Basic information
- Standard SMILES
CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)nc1- InChIKey
PDBGOBDVQXENFX-UHFFFAOYSA-N- Molecular formula
- C20H24N4O2
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.18992602
Names & identifiers
- Preferred name
- N-{5-[(3-methylbutyl)carbamoyl]pyridin-2-yl}-1,3-dihydro-2H-isoindole-2-carboxamide
- IUPAC
- N-[5-(3-methylbutylcarbamoyl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
Names & synonyms
SCHEMBL3698865SCHEMBL6120939CHEMBL3984857PDBGOBDVQXENFX-UHFFFAOYSA-NBDBM217078US9302989, 370N-{5-[(3-methylbutyl)carbamoyl]pyridin-2-yl}-1,3-dihydro-2H-isoindole-2-carboxamide
Database identifiers
- PubChem CID
- 57509986
- ChEMBL
CHEMBL3984857
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Related reactions
1 records
Compound notes
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