Basic information
- Standard SMILES
CCOc1c(C)cccc1CN(C)C(=O)/C=C/c1cnc(N)c(CN2CCN(C)CC2)c1.Cl- InChIKey
JOXVTAOBFYPGHU-RRABGKBLSA-N- Molecular formula
- C25H36ClN5O2
- Average molar mass
- 474 g/mol
Names & identifiers
- Preferred name
- (E)-3-[6-Amino-5-(4-methyl-piperazin-1-ylmethyl)pyridin-3-yl]-N-(2-ethoxy-3-methyl-benzyl)-N-methyl-acrylamide hydrochloride
- IUPAC
- (E)-3-[6-amino-5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[(2-ethoxy-3-methylphenyl)methyl]-N-methylprop-2-enamide;hydrochloride
Names & synonyms
SCHEMBL1253879JOXVTAOBFYPGHU-RRABGKBLSA-N(E)-3-[6-Amino-5-(4-methyl-piperazin-1-ylmethyl)pyridin-3-yl]-N-(2-ethoxy-3-methyl-benzyl)-N-methyl-acrylamide hydrochloride
Database identifiers
- PubChem CID
- 10073590
Properties
Computed structural properties
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 607
Related reactions
2 records
Compound notes
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