2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid

C21H19N3O7 — CID 69248903

IUPAC2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCO
InChIInChI=1S/C15H14N2O5.C6H5NO2/c18-8-7-16-12(19)6-5-11(15(16)22)17-13(20)9-3-1-2-4-10(9)14(17)21;8-6(9)5-2-1-3-7-4-5/h1-4,11,18H,5-8H2;1-4H,(H,8,9)
InChIKeyPZZWHJBOLLIIHX-UHFFFAOYSA-N
MW425.40 g/mol
LogP0.57
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid

2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid (PubChem CID 69248903) has the molecular formula C21H19N3O7 and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid
PubChem CID69248903
Molecular FormulaC21H19N3O7
Molecular Weight425.40 g/mol
Exact Mass425.12
IUPAC Name2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCO
InChIInChI=1S/C15H14N2O5.C6H5NO2/c18-8-7-16-12(19)6-5-11(15(16)22)17-13(20)9-3-1-2-4-10(9)14(17)21;8-6(9)5-2-1-3-7-4-5/h1-4,11,18H,5-8H2;1-4H,(H,8,9)
InChIKeyPZZWHJBOLLIIHX-UHFFFAOYSA-N
XLogP0.57
TPSA145.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[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
(2S)-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-3-phenylpropanoic acid
CID 3236492
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-2-carboxylate
CID 57394497
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
2-[(1S)-1-benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione
CID 473077
1-{2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]ethyl}-3-(ethoxycarbonyl)pyridinium
CID 853068
1,3-Dihydro-1,3-dioxo-2H-isoindol-2-YL 3-pyridinecarboxylate
CID 19841376
4-[(1,3-Dioxoisoindol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 58687911
2-[3-(4-Fluoro-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-4-carboxylate
CID 69245559
2-[3-(4-Fluoro-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl pyridine-3-carboxylate
CID 69247753

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid (CID 69248903) is 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid is O=C(O)c1cccnc1.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCO.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid?
The InChIKey is PZZWHJBOLLIIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5.C6H5NO2/c18-8-7-16-12(19)6-5-11(15(16)22)17-13(20)9-3-1-2-4-10(9)14(17)21;8-6(9)5-2-1-3-7-4-5/h1-4,11,18H,5-8H2;1-4H,(H,8,9).
What are the key properties of 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid?
2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid has a molecular weight of 425.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid is sourced from PubChem (CID 69248903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).