AC1LXWBK structure

AC1LXWBK

(E)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methylprop-2-enamide

Also Known As: (2E)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methylprop-2-enamide|(E)-3-(2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyano-N-methylacrylamide|(E)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methylprop-2-enamide

CAS: 799771-95-2
Molecular Formula C26H27N5O2
Molecular Weight 441.21646 g/mol
LogP 3.115
Topological Polar Surface Area 90.5 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 441.21646
Monoisotopic Mass 441.21646
Heavy Atoms 33
Complexity 1295.9922

Chemical Identifiers

CAS Number 799771-95-2
SMILES CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC)N3CCC(CC3)CC4=CC=CC=C4

Product Overview

AC1LXWBK (CAS 799771-95-2), with molecular formula C26H27N5O2 and molecular weight 441.21646 g/mol. IUPAC: (E)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methylprop-2-enamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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