N-Methyl-4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinamine - CAS 290297-25-5
Catalog: |
BB056503 |
Product Name: |
N-Methyl-4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinamine |
CAS: |
290297-25-5 |
Synonyms: |
N-Methyl-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-amine |
IUPAC Name: | N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine |
Description: | N-Methyl-4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinamine is used as a reactant in the synthesis of NK1 receptor antagonists via 1,4-Grignard addition/oxidation sequence to 6-chloronicotinic acid and derivatives. |
Molecular Weight: | 296.41 |
Molecular Formula: | C18H24N4 |
Canonical SMILES: | CC1=CC=CC=C1C2=CC(=NC=C2NC)N3CCN(CC3)C |
InChI: | InChI=1S/C18H24N4/c1-14-6-4-5-7-15(14)16-12-18(20-13-17(16)19-2)22-10-8-21(3)9-11-22/h4-7,12-13,19H,8-11H2,1-3H3 |
InChI Key: | LCQDUKXKKBAUIO-UHFFFAOYSA-N |
References: | Hoffmann-Emery, F., et al. J. Org. Chem., 71, 2000 (2006). |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.20009678 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.20009678 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 31.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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