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CAS 1403255-00-4

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[1,1′-Biphenyl]-3-carboxamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-4-methyl-4′-(4-morpholinylmethyl)-, hydrochloride (1:3)

Description:
[1,1′-Biphenyl]-3-carboxamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-4-methyl-4′-(4-morpholinylmethyl)-, hydrochloride (1:3) is a complex organic compound characterized by its biphenyl structure, which is a common motif in pharmaceuticals and agrochemicals. The presence of a carboxamide functional group indicates potential for hydrogen bonding, influencing its solubility and reactivity. The compound features a pyridine ring, which contributes to its biological activity, and various substituents such as ethyl and morpholine groups that may enhance its pharmacokinetic properties. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, facilitating its use in biological assays or formulations. The intricate structure suggests potential applications in medicinal chemistry, possibly as a therapeutic agent, although specific biological activities would require empirical investigation. Overall, this compound exemplifies the complexity and diversity of modern synthetic organic chemistry.
Formula:C34H44N4O4·3ClH
InChI:InChI=1S/C34H44N4O4.3ClH/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40;;;/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40);3*1H
InChI key:InChIKey=PBAHJOUNGPCAIP-UHFFFAOYSA-N
SMILES:N(CC)(C1=C(C)C(C(NCC2=C(C)C=C(C)NC2=O)=O)=CC(=C1)C3=CC=C(CN4CCOCC4)C=C3)C5CCOCC5.Cl
Synonyms:
  • [1,1′-Biphenyl]-3-carboxamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-4-methyl-4′-(4-morpholinylmethyl)-, hydrochloride (1:3)
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