3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H21N3O6 — CID 134492902

About 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 134492902) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 134492902
• Molecular Formula: C23H21N3O6
• Molecular Weight: 435.44 g/mol
• Exact Mass: 435.14
• IUPAC Name: 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(OCCOCC#Cc4ccc(O)cn4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C23H21N3O6/c27-17-4-3-16(24-13-17)2-1-9-31-10-11-32-18-5-6-19-15(12-18)14-26(23(19)30)20-7-8-21(28)25-22(20)29/h3-6,12-13,20,27H,7-11,14H2,(H,25,28,29)
• InChIKey: NPHVLILTKXNTPB-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 118.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.44
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 134492902) is 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OCCOCC#Cc4ccc(O)cn4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is NPHVLILTKXNTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c27-17-4-3-16(24-13-17)2-1-9-31-10-11-32-18-5-6-19-15(12-18)14-26(23(19)30)20-7-8-21(28)25-22(20)29/h3-6,12-13,20,27H,7-11,14H2,(H,25,28,29).

What are the key properties of 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 435.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[3-(5-hydroxy-2-pyridinyl)prop-2-ynoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 134492902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).