Nicotinamide, N-(4-methyl-1-piperazinylmethyl)-
Basic information
- CAS
38221-46-4- Standard SMILES
CN1CCN(CNC(=O)c2cccnc2)CC1- InChIKey
LEKLMQGQIOCIPL-UHFFFAOYSA-N- Molecular formula
- C12H18N4O
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.14806121
Names & identifiers
- Preferred name
- Nicotinamide, N-(4-methyl-1-piperazinylmethyl)-
- IUPAC
- N-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide
- English name
- N-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide
- Molecular formula
- C12H18N4O
- Molecular weight
- 234.3
Names & synonyms
38221-46-4N-(4-Methyl-1-piperazinylmethyl)nicotinamideNicotinamide, N-(4-methyl-1-piperazinylmethyl)-DTXSID00191609RefChem:365585DTXCID90114100N-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamideAKOS002663002DB-265995N-[(4-methylpiperazin-1-yl)methyl ]pyridine-3-carboxamide3-Pyridinecarboxamide, N-[(4-methyl-1-piperazinyl)methyl]-
Database identifiers
- CAS
38221-46-4- PubChem CID
- 217174
- DTXSID
DTXSID00191609
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 446.1 · 446.1±35.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…