AC1NXAKQ structure

AC1NXAKQ

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

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

CAS: 799771-75-8
Molecular Formula C26H28N6O2
Molecular Weight 456.2274 g/mol
LogP 2.3682
Topological Polar Surface Area 93.74 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 456.2274
Monoisotopic Mass 456.2274
Heavy Atoms 34
Complexity 1314.8556

Chemical Identifiers

CAS Number 799771-75-8
SMILES CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NCC4=CC=CC=C4

Product Overview

AC1NXAKQ (CAS 799771-75-8), with molecular formula C26H28N6O2 and molecular weight 456.2274 g/mol. IUPAC: (E)-N-benzyl-2-cyano-3-[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-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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