2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate

C21H17N3O6 — CID 69248909

IUPAC2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate
SMILESO=C(OCCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O)c1cccnc1
InChIInChI=1S/C21H17N3O6/c25-17-8-7-16(24-18(26)14-5-1-2-6-15(14)19(24)27)20(28)23(17)10-11-30-21(29)13-4-3-9-22-12-13/h1-6,9,12,16H,7-8,10-11H2
InChIKeyAEEHXVBGPLXSTO-UHFFFAOYSA-N
MW407.38 g/mol
LogP1.05
Rot. Bonds5

About 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate

2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate (PubChem CID 69248909) has the molecular formula C21H17N3O6 and a molecular weight of 407.38 g/mol. Its IUPAC name is 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate
PubChem CID69248909
Molecular FormulaC21H17N3O6
Molecular Weight407.38 g/mol
Exact Mass407.11
IUPAC Name2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate
SMILESO=C(OCCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O)c1cccnc1
InChIInChI=1S/C21H17N3O6/c25-17-8-7-16(24-18(26)14-5-1-2-6-15(14)19(24)27)20(28)23(17)10-11-30-21(29)13-4-3-9-22-12-13/h1-6,9,12,16H,7-8,10-11H2
InChIKeyAEEHXVBGPLXSTO-UHFFFAOYSA-N
XLogP1.05
TPSA113.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate with MolForge

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Related Compounds

1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-pyrrolidine-2-carboxylic acid benzyl ester
CID 44384730
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-3-carboxylate
CID 54589418
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-4-carboxylate
CID 57392768
Nicotinic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 655828
3,3-Dimethylbutan-2-yl 2-[3-(1,3-dioxoisoindol-2-yl)propyl]-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 44408491
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-2-carboxylate
CID 57394497
(1,3-Dioxoisoindol-2-yl)methyl 6-chloropyridine-3-carboxylate
CID 9106946
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2416067
2-(1,3-Dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate
CID 2395269
Benzenesulfonic acid;[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-3-carboxylate
CID 54589417
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-3-carboxylate;hydrochloride
CID 57399709
3-Pyridinecarboxylic acid, 2-(bis(2-((1,1-dimethyl-2-phenylethyl)methylamino)-2-oxoethyl)amino)ethyl ester, hydrochloride (1:1)
CID 201456

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate?
The IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate (CID 69248909) is 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate.
What is the SMILES notation for 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate?
The canonical SMILES for 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate is O=C(OCCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O)c1cccnc1.
What is the InChIKey of 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate?
The InChIKey is AEEHXVBGPLXSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O6/c25-17-8-7-16(24-18(26)14-5-1-2-6-15(14)19(24)27)20(28)23(17)10-11-30-21(29)13-4-3-9-22-12-13/h1-6,9,12,16H,7-8,10-11H2.
What are the key properties of 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate?
2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate has a molecular weight of 407.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate is sourced from PubChem (CID 69248909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).