2-[(6-Amino-5-cyano-4-ethylpyridin-2-yl)amino]ethyl phenoxyacetate
Basic information
- CAS
52338-19-9- Standard SMILES
CCc1cc(NCCOC(=O)COc2ccccc2)nc(N)c1C#N- InChIKey
QXADBZPXKWPMPL-UHFFFAOYSA-N- Molecular formula
- C18H20N4O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.15354051
Names & identifiers
- Preferred name
- 2-[(6-Amino-5-cyano-4-ethylpyridin-2-yl)amino]ethyl phenoxyacetate
- IUPAC
- 2-[(6-amino-5-cyano-4-ethyl-2-pyridinyl)amino]ethyl 2-phenoxyacetate
Names & synonyms
DTXSID0011600072-[(6-Amino-5-cyano-4-ethylpyridin-2-yl)amino]ethyl phenoxyacetate2-[(6-Amino-5-cyano-4-ethyl-2-pyridinyl)amino]ethyl 2-phenoxyacetate52338-19-9
Database identifiers
- CAS
52338-19-9- PubChem CID
- 165345274
- DTXSID
DTXSID001160007
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
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Related reactions
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Compound notes
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