N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide

C45H52N8O6 — CID 140861117

About N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide

N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide (PubChem CID 140861117) has the molecular formula C45H52N8O6 and a molecular weight of 800.96 g/mol. Its IUPAC name is N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
• PubChem CID: 140861117
• Molecular Formula: C45H52N8O6
• Molecular Weight: 800.96 g/mol
• Exact Mass: 800.40
• IUPAC Name: N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
• SMILES: Cc1cc(C#N)cnc1OC1C(C)(C)C(NC(=O)c2ccc(N3CCC(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)C1(C)C
• InChI: InChI=1S/C45H52N8O6/c1-27-22-29(24-46)25-47-39(27)59-43-44(2,3)42(45(43,4)5)49-37(55)30-6-8-31(9-7-30)51-16-14-28(15-17-51)26-50-18-20-52(21-19-50)32-10-11-33-34(23-32)41(58)53(40(33)57)35-12-13-36(54)48-38(35)56/h6-11,22-23,25,28,35,42-43H,12-21,26H2,1-5H3,(H,49,55)(H,48,54,56)
• InChIKey: IRCORWZKNMNGRB-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 168.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.96
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?

The IUPAC name of N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide (CID 140861117) is N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide.

What is the SMILES notation for N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?

The canonical SMILES for N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide is Cc1cc(C#N)cnc1OC1C(C)(C)C(NC(=O)c2ccc(N3CCC(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)C1(C)C.

What is the InChIKey of N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?

The InChIKey is IRCORWZKNMNGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H52N8O6/c1-27-22-29(24-46)25-47-39(27)59-43-44(2,3)42(45(43,4)5)49-37(55)30-6-8-31(9-7-30)51-16-14-28(15-17-51)26-50-18-20-52(21-19-50)32-10-11-33-34(23-32)41(58)53(40(33)57)35-12-13-36(54)48-38(35)56/h6-11,22-23,25,28,35,42-43H,12-21,26H2,1-5H3,(H,49,55)(H,48,54,56).

What are the key properties of N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?

N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide has a molecular weight of 800.96 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5-cyano-3-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 140861117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).