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2-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

HCID 464274
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCc1cc(CCN2C(=O)c3ccccc3C2=O)c(OC)nc1C
InChIKey
QYSSLWCBEHQZFN-UHFFFAOYSA-N
Molecular formula
C19H20N2O3
Average molar mass
324.4 g/mol
Monoisotopic mass
324.1473925

Names & identifiers

Preferred name
2-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC
2-[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]isoindole-1,3-dione

Names & synonyms

2-methoxypyridine deriv. 26BDBM1072SCHEMBL9431872QYSSLWCBEHQZFN-UHFFFAOYSA-N2-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione2-methoxy-3-(2-phthalimidoethyl)-5-ethyl-6-methylpyridine2-Methoxy-3-(2-pthalimidoethyl)-5-ethyl-6-methylpyridine2-methoxy-3-(2-phthalimidoethyl)-5-ethyl-6-methyl pyridine2-[2-(5-ethyl-2-methoxy-6-methyl-3-pyridyl)ethyl]isoindoline-1,3-dione

Database identifiers

PubChem CID
464274
Nikkaji
J513.568K

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
59.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
457

Related reactions

3 records
New reaction record
HRID 1033022 reaction equation
HRID 1033022As productuspto-grants-1994_05
HRID 1033023 reaction equation
HRID 1033023As reactantuspto-grants-1994_05
HRID 1138387 reaction equation
HRID 1138387As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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