Basic information
- Standard SMILES
Cc1ccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ncccc34)cc2)cc1C- InChIKey
KYMPJPSAUNCFAK-UHFFFAOYSA-N- Molecular formula
- C23H21N5O2
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.16952493
Names & identifiers
- Preferred name
- 3-{4-[3-(3,4-dimethylphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
- IUPAC
- 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
Names & synonyms
SCHEMBL1875467KYMPJPSAUNCFAK-UHFFFAOYSA-N3-{4-[3-(3,4-dimethylphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 57445305
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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