Basic information
- Standard SMILES
C#Cc1ccc(Nc2cnccc2C(=O)NOCC(O)CO)c(Cl)c1- InChIKey
XCEVWTQOAXHKLO-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O4
- Average molar mass
- 361.8 g/mol
Names & identifiers
- Preferred name
- 3-(2-Chloro-4-ethynyl-phenylamino)-N-(2,3-dihydroxy-propoxy)isonicotinamide
- IUPAC
- 3-(2-chloro-4-ethynylanilino)-N-(2,3-dihydroxypropoxy)pyridine-4-carboxamide
Names & synonyms
SCHEMBL2026963XCEVWTQOAXHKLO-UHFFFAOYSA-N3-(2-Chloro-4-ethynyl-phenylamino)-N-(2,3-dihydroxy-propoxy)-isonicotinamide3-(2-Chloro-4-ethynyl-phenylamino)-N-(2,3-dihydroxy-propoxy)isonicotinamide
Database identifiers
- PubChem CID
- 11610213
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
5 records
Compound notes
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