2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid

C23H23N3O7 — CID 69248803

IUPAC2-[1-(4-hydroxybutyl)-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)N1CCCCO
InChIInChI=1S/C17H18N2O5.C6H5NO2/c20-10-4-3-9-18-14(21)8-7-13(17(18)24)19-15(22)11-5-1-2-6-12(11)16(19)23;8-6(9)5-2-1-3-7-4-5/h1-2,5-6,13,20H,3-4,7-10H2;1-4H,(H,8,9)
InChIKeyWNUYGUBFWDPZEH-UHFFFAOYSA-N
MW453.45 g/mol
LogP1.35
Rot. Bonds6

About 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid

2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid (PubChem CID 69248803) has the molecular formula C23H23N3O7 and a molecular weight of 453.45 g/mol. Its IUPAC name is 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid
PubChem CID69248803
Molecular FormulaC23H23N3O7
Molecular Weight453.45 g/mol
Exact Mass453.15
IUPAC Name2-[1-(4-hydroxybutyl)-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)N1CCCCO
InChIInChI=1S/C17H18N2O5.C6H5NO2/c20-10-4-3-9-18-14(21)8-7-13(17(18)24)19-15(22)11-5-1-2-6-12(11)16(19)23;8-6(9)5-2-1-3-7-4-5/h1-2,5-6,13,20H,3-4,7-10H2;1-4H,(H,8,9)
InChIKeyWNUYGUBFWDPZEH-UHFFFAOYSA-N
XLogP1.35
TPSA145.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid with MolForge

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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
3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid
CID 653954
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-2-carboxylate
CID 57394497
3-(5,7-Dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)benzoic acid
CID 622617
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)benzoic acid
CID 695595
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-{[2-(2-Methylphenyl)pyrrolidin-1-yl]methyl}nicotinic acid
CID 50972702
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
2-[4-(Pyridin-4-ylmethyl)piperazine-1-carbonyl]benzoic acid
CID 2812474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid?
The IUPAC name of 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid (CID 69248803) is 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-(4-hydroxybutyl)-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)N1CCCCO.
What is the InChIKey of 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid?
The InChIKey is WNUYGUBFWDPZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5.C6H5NO2/c20-10-4-3-9-18-14(21)8-7-13(17(18)24)19-15(22)11-5-1-2-6-12(11)16(19)23;8-6(9)5-2-1-3-7-4-5/h1-2,5-6,13,20H,3-4,7-10H2;1-4H,(H,8,9).
What are the key properties of 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid?
2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid has a molecular weight of 453.45 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxybutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;pyridine-3-carboxylic acid is sourced from PubChem (CID 69248803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).