4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide

C₁₈H₂₂N₄OCAS 342417-01-0310.40 g/mol

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Properties

Molecular formula: C₁₈H₂₂N₄O
Molar mass: 310.40 g/mol
Exact mass: 310.1794 Da
Melting point: 163.6–164.5 °C
logP: 2.69Crippen estimate
Polar surface area: 63.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

342417-01-0

SMILES

Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1C(=N)O

InChIKey

UQTDFKWGXOVHFZ-UHFFFAOYSA-N

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)

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Names and synonyms

2 names

3-Pyridinecarboxamide, 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-
6-(4-Methylpiperazin-1-yl)-4-o-tolylnicotinamide

Work with 4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Netupitant290297-26-648 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-638 % similar 3-Methylpicolinic acid4021-07-233 % similar 2-Methyl-3-pyridinecarboxamide58539-65-433 % similar Phthalamic acid88-97-133 % similar Olanzapine thiolactam impurity1017241-36-932 % similar 1-(3-Carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine61338-13-431 % similar Phthalamide88-96-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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