[2-Oxo-2-(2,4,6-trimethylanilino)ethyl] pyridine-4-carboxylate
Basic information
- CAS
380204-69-3- Standard SMILES
Cc1cc(C)c(NC(=O)COC(=O)c2ccncc2)c(C)c1- InChIKey
WGLPOXICSZKCBN-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.13174244
Names & identifiers
- Preferred name
- [2-Oxo-2-(2,4,6-trimethylanilino)ethyl] pyridine-4-carboxylate
- IUPAC
- [2-oxo-2-(2,4,6-trimethylanilino)ethyl] pyridine-4-carboxylate
Names & synonyms
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] pyridine-4-carboxylateOprea1_117853MLS002247970CHEMBL1714756DTXSID401321651HMS3090G10AKOS033700035380204-69-3SMR001315453Z196844002-Oxo-2-(2,4,6-trimethylanilino)ethyl pyridine-4-carboxylate
Database identifiers
- CAS
380204-69-3- PubChem CID
- 2343045
- DTXSID
DTXSID401321651- ChEMBL
CHEMBL1714756
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
Solubility35.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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