3-{4-[3-(2,5-dimethylphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

HCID 57445302
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Basic information

Standard SMILES
Cc1ccc(C)c(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ncccc34)cc2)c1
InChIKey
JGUIDHASKFORMW-UHFFFAOYSA-N
Molecular formula
C23H21N5O2
Average molar mass
399.4 g/mol

Names & identifiers

Preferred name
3-{4-[3-(2,5-dimethylphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
IUPAC
3-[4-[(2,5-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

Names & synonyms

SCHEMBL1880332JGUIDHASKFORMW-UHFFFAOYSA-N3-{4-[3-(2,5-dimethylphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

Database identifiers

PubChem CID
57445302

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

Related reactions

2 records
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Compound notes

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