4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide

C39H32N4O9 — CID 168863587

About 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide

4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide (PubChem CID 168863587) has the molecular formula C39H32N4O9 and a molecular weight of 700.70 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide
• PubChem CID: 168863587
• Molecular Formula: C39H32N4O9
• Molecular Weight: 700.70 g/mol
• Exact Mass: 700.22
• IUPAC Name: 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide
• SMILES: NC(=O)c1ccc(-c2cc(-c3ccc(OCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc(-c3ccco3)c2)cc1
• InChI: InChI=1S/C39H32N4O9/c40-36(45)25-5-3-23(4-6-25)26-20-31(41-32(21-26)34-2-1-15-52-34)24-7-9-27(10-8-24)50-18-16-49-17-19-51-28-11-12-29-30(22-28)39(48)43(38(29)47)33-13-14-35(44)42-37(33)46/h1-12,15,20-22,33H,13-14,16-19H2,(H2,40,45)(H,42,44,46)
• InChIKey: KBBHBOULEUCPDZ-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 180.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	700.70
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide?

The IUPAC name of 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide (CID 168863587) is 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide.

What is the SMILES notation for 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide?

The canonical SMILES for 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc(OCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc(-c3ccco3)c2)cc1.

What is the InChIKey of 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide?

The InChIKey is KBBHBOULEUCPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N4O9/c40-36(45)25-5-3-23(4-6-25)26-20-31(41-32(21-26)34-2-1-15-52-34)24-7-9-27(10-8-24)50-18-16-49-17-19-51-28-11-12-29-30(22-28)39(48)43(38(29)47)33-13-14-35(44)42-37(33)46/h1-12,15,20-22,33H,13-14,16-19H2,(H2,40,45)(H,42,44,46).

What are the key properties of 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide?

4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide has a molecular weight of 700.70 g/mol, XLogP of 4.65, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 168863587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).