N-(tert-butyl)-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamide
Basic information
- CAS
881743-64-2- Standard SMILES
Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1C(=O)NC(C)(C)C- InChIKey
YHLMFPXIBLVCHL-UHFFFAOYSA-N- Molecular formula
- C22H30N4O
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.24196159
Names & identifiers
- Preferred name
- N-(tert-butyl)-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamide
- IUPAC
- N-tert-butyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
- English name
- 3-Pyridinecarboxamide, N-(1,1-dimethylethyl)-4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-
- Molecular formula
- C22H30N4O
- Molecular weight
- 366.5
Names & synonyms
881743-64-2N-(tert-butyl)-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamideMFCD11113418N-tert-butyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamideN-tert-butyl-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamide3-PYRIDINECARBOXAMIDE, N-(1,1-DIMETHYLETHYL)-4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-KW2G298YS7SY316949F786867N-(tert-Butyl)-6-(4-methyl-1-piperazinyl)-4-(o-tolyl)nicotinamideN-tert-butyl-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridine-3-carboxamideN-(1,1-Dimethylethyl)-4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide
Show more names
N-(Tert-butyl)-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-carboxamide
Database identifiers
- CAS
881743-64-2- PubChem CID
- 11660631
- UNII
- KW2G298YS7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Melting point
- 116.1 · 116.1-117.6 °C
- Boiling point
- 534.1 · 534.1±50.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 14.38 · 14.38±0.46(Predicted)
- Appearance
- Light yellow to light brown Solid
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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