6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid

C24H22N4O7 — CID 134414054

About 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid

6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 134414054) has the molecular formula C24H22N4O7 and a molecular weight of 478.46 g/mol. Its IUPAC name is 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 134414054
• Molecular Formula: C24H22N4O7
• Molecular Weight: 478.46 g/mol
• Exact Mass: 478.15
• IUPAC Name: 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCC4CN(c5ccc(C(=O)O)cn5)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C24H22N4O7/c29-20-6-4-18(21(30)26-20)28-22(31)16-3-2-15(9-17(16)23(28)32)35-8-7-13-11-27(12-13)19-5-1-14(10-25-19)24(33)34/h1-3,5,9-10,13,18H,4,6-8,11-12H2,(H,33,34)(H,26,29,30)
• InChIKey: XWITVWBPFRHRMC-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 146.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.46
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid (CID 134414054) is 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid is O=C1CCC(N2C(=O)c3ccc(OCCC4CN(c5ccc(C(=O)O)cn5)C4)cc3C2=O)C(=O)N1.

What is the InChIKey of 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is XWITVWBPFRHRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O7/c29-20-6-4-18(21(30)26-20)28-22(31)16-3-2-15(9-17(16)23(28)32)35-8-7-13-11-27(12-13)19-5-1-14(10-25-19)24(33)34/h1-3,5,9-10,13,18H,4,6-8,11-12H2,(H,33,34)(H,26,29,30).

What are the key properties of 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid?

6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 478.46 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134414054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).