Basic information
- CAS
1373866-65-9- Standard SMILES
CCC(=O)Nc1cc(C(=O)OC)ccn1- InChIKey
NYESQEPDCIBHFE-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- Methyl 2-propionamidoisonicotinate
- IUPAC
- methyl 2-(propanoylamino)pyridine-4-carboxylate
Names & synonyms
methyl 2-propionamidoisonicotinate1373866-65-9SCHEMBL2712961NYESQEPDCIBHFE-UHFFFAOYSA-NDTXSID701172148Methyl 2-propanamidopyridine-4-carboxylateDB-1193754-Pyridinecarboxylic acid, 2-[(1-oxopropyl)amino]-, methyl ester
Database identifiers
- CAS
1373866-65-9- PubChem CID
- 67508364
- DTXSID
DTXSID701172148
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
2 records
Compound notes
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