Isonicotinamide, N-(4-methyl-1-piperazinylmethyl)-
Basic information
- CAS
38221-52-2- Standard SMILES
CN1CCN(CNC(=O)c2ccncc2)CC1- InChIKey
FULSTGXOHJXJSE-UHFFFAOYSA-N- Molecular formula
- C12H18N4O
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.14806121
Names & identifiers
- Preferred name
- Isonicotinamide, N-(4-methyl-1-piperazinylmethyl)-
- IUPAC
- N-[(4-methylpiperazin-1-yl)methyl]pyridine-4-carboxamide
Names & synonyms
38221-52-2BRN 0529139N-(4-Methyl-1-piperazinylmethyl)isonicotinamideISONICOTINAMIDE, N-(4-METHYL-1-PIPERAZINYLMETHYL)-N-((4-Methyl-1-piperazinyl)-methyl)-isonicotinamid [German]DTXSID50191614N-((4-Methyl-1-piperazinyl)-methyl)-isonicotinamidRefChem:349649DTXCID90114105N-[(4-methylpiperazin-1-yl)methyl]pyridine-4-carboxamide
Database identifiers
- CAS
38221-52-2- PubChem CID
- 37981
- DTXSID
DTXSID50191614
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
- 245
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Compound notes
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