AC1LXX99 structure

AC1LXX99

1-[3-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide

Also Known As: (E)-1-(3-(2-cyano-3-((3-methoxypropyl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide|1-(3-{(1E)-2-cyano-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide|1-[3-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide

CAS: 799772-72-8
Molecular Formula C22H26N6O4
Molecular Weight 438.20154 g/mol
LogP 0.45588
Topological Polar Surface Area 142.82 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 8
Exact Mass 438.20154
Monoisotopic Mass 438.20154
Heavy Atoms 32
Complexity 1125.4227

Chemical Identifiers

CAS Number 799772-72-8
SMILES COCCCNC(=O)/C(=C/C1=C(N=C2C=CC=CN2C1=O)N3CCC(CC3)C(=O)N)/C#N

Product Overview

AC1LXX99 (CAS 799772-72-8), with molecular formula C22H26N6O4 and molecular weight 438.20154 g/mol. IUPAC: 1-[3-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide.

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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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