Basic information
- Standard SMILES
COc1cccc(CN(C)C(=O)/C=C/c2ccc(N)nc2)c1OC- InChIKey
HZTFRUVAVYRNND-CSKARUKUSA-N- Molecular formula
- C18H21N3O3
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- (E)-3-(6-Amino-pyridin-3-yl)-N-(2,3-dimethoxy-benzyl)-N-methyl-acrylamide
- IUPAC
- (E)-3-(6-amino-3-pyridinyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylprop-2-enamide
Names & synonyms
SCHEMBL1254179HZTFRUVAVYRNND-CSKARUKUSA-N(E)-3-(6-Amino-pyridin-3-yl)-N-(2,3-dimethoxy-benzyl)-N-methyl-acrylamide
Database identifiers
- PubChem CID
- 66967429
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Related reactions
2 records
Compound notes
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