Basic information
- CAS
135525-65-4- Standard SMILES
CCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C- InChIKey
HEJZGGFJHZQHRW-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3
- Average molar mass
- 311.33 g/mol
- Monoisotopic mass
- 311.12699141
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
- IUPAC
- 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione
Names & synonyms
L 345516L-345,516135525-65-4CHEMBL838251H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-3-((2-Phthalimidomethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one3-[(2-Phthalimidomethyl)amino]-5-ethyl-6-methylpyridin-2(1H)-one1H-Isoindole-1,3(2H)-dione, 2-[[(5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino]methyl]-BDBM1057SCHEMBL9432418DTXSID40159445BDBM50594990
Show more names
2-{[(5-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione3-[N-(Phthalimidomethyl)amino]-5-ethyl-6-methylpyridin-2(1H)-one2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindoline-1,3-dione2-{[(5-Ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino]methyl}-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
135525-65-4- PubChem CID
- 453179
- DTXSID
DTXSID40159445- ChEMBL
CHEMBL83825
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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