Basic information
- CAS
858117-28-9- Standard SMILES
NC(=O)c1ccc(-c2cnc3[nH]ccc3c2)cc1- InChIKey
VTOWKWYQXYNGMD-UHFFFAOYSA-N- Molecular formula
- C14H11N3O
- Average molar mass
- 237.26 g/mol
- Monoisotopic mass
- 237.09021198
Names & identifiers
- Preferred name
- Benzamide, 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-
- IUPAC
- 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
Names & synonyms
4-(1H-Pyrrolo[2,3-b]pyridin-5-yl)benzamide858117-28-9CHEMBL54015304-{1H-PYRROLO[2,3-B]PYRIDIN-5-YL}BENZAMIDEBenzamide, 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-SCHEMBL858525DTXSID80459850BDBM50633412EBC-607191Z2065825364
Database identifiers
- CAS
858117-28-9- PubChem CID
- 11241865
- DTXSID
DTXSID80459850- ChEMBL
CHEMBL5401530
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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