6-(4-Methyl-1-piperazinyl)-4-(o-tolyl)nicotinamide - CAS 342417-01-0
Catalog: |
BB022024 |
Product Name: |
6-(4-Methyl-1-piperazinyl)-4-(o-tolyl)nicotinamide |
CAS: |
342417-01-0 |
Synonyms: |
4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide; 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide |
IUPAC Name: | 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide |
Description: | 6-(4-Methyl-1-piperazinyl)-4-(o-tolyl)nicotinamide (CAS# 342417-01-0) is a useful research chemical. |
Molecular Weight: | 310.39 |
Molecular Formula: | C18H22N4O |
Canonical SMILES: | CC1=CC=CC=C1C2=CC(=NC=C2C(=O)N)N3CCN(CC3)C |
InChI: | InChI=1S/C18H22N4O/c1-13-5-3-4-6-14(13)15-11-17(20-12-16(15)18(19)23)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H2,19,23) |
InChI Key: | UQTDFKWGXOVHFZ-UHFFFAOYSA-N |
Boiling Point: | 498.1 °C at 760 mmHg |
Density: | 1.165 g/cm3 |
LogP: | 2.79480 |
Publication Number | Title | Priority Date |
CN-105061303-A | New method for preparation of netupitant key intermediate N-methyl-4-(2-methyl phenyl)-6-(4-methyl-1-piperazinyl)-3-pyridylamine | 20150803 |
CN-106986822-B | Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases | 20111129 |
DK-2785706-T3 | Substituted 4-phenyl-pyridines FOR THE TREATMENT OF NK-1 RECEPTOR-RELATED DISEASES | 20111129 |
EP-2785706-B1 | Substituted 4-phenyl-pyridines for the treatment of nk-1 receptor related diseases. | 20111129 |
JP-2014507446-A | Substituted 4-phenyl-pyridines for the treatment of NK-1 receptor related diseases | 20111129 |
Complexity: | 408 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.17936134 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.17936134 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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