[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate

C28H26N4O6 — CID 166074291

About [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate

[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate (PubChem CID 166074291) has the molecular formula C28H26N4O6 and a molecular weight of 514.54 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate.

Molecular Properties

• Compound Name: [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate
• PubChem CID: 166074291
• Molecular Formula: C28H26N4O6
• Molecular Weight: 514.54 g/mol
• Exact Mass: 514.19
• IUPAC Name: [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate
• SMILES: COc1cc(COC(=O)Nc2cnc(-c3ccccc3)c(C)c2)cc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C28H26N4O6/c1-16-10-19(13-29-25(16)18-6-4-3-5-7-18)30-28(36)38-15-17-11-20-21(23(12-17)37-2)14-32(27(20)35)22-8-9-24(33)31-26(22)34/h3-7,10-13,22H,8-9,14-15H2,1-2H3,(H,30,36)(H,31,33,34)
• InChIKey: CJPOCWXKYPARLC-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 126.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.54
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate?

The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate (CID 166074291) is [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate.

What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate?

The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate is COc1cc(COC(=O)Nc2cnc(-c3ccccc3)c(C)c2)cc2c1CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate?

The InChIKey is CJPOCWXKYPARLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O6/c1-16-10-19(13-29-25(16)18-6-4-3-5-7-18)30-28(36)38-15-17-11-20-21(23(12-17)37-2)14-32(27(20)35)22-8-9-24(33)31-26(22)34/h3-7,10-13,22H,8-9,14-15H2,1-2H3,(H,30,36)(H,31,33,34).

What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate?

[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate has a molecular weight of 514.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate is sourced from PubChem (CID 166074291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).