N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

C44H47N9O6 — CID 155296720

About N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 155296720) has the molecular formula C44H47N9O6 and a molecular weight of 797.92 g/mol. Its IUPAC name is N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 155296720
• Molecular Formula: C44H47N9O6
• Molecular Weight: 797.92 g/mol
• Exact Mass: 797.36
• IUPAC Name: N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
• SMILES: CCC(CCOc1ccc(C#N)c2ncccc12)NC(=O)c1ccc(N2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)nc1
• InChI: InChI=1S/C44H47N9O6/c1-2-31(15-23-59-37-10-5-29(25-45)40-34(37)4-3-16-46-40)48-41(55)30-6-11-38(47-26-30)52-17-13-28(14-18-52)27-50-19-21-51(22-20-50)32-7-8-33-35(24-32)44(58)53(43(33)57)36-9-12-39(54)49-42(36)56/h3-8,10-11,16,24,26,28,31,36H,2,9,12-15,17-23,27H2,1H3,(H,48,55)(H,49,54,56)
• InChIKey: RQLCLYXWQUKRPI-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 181.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.92
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 155296720) is N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is CCC(CCOc1ccc(C#N)c2ncccc12)NC(=O)c1ccc(N2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)nc1.

What is the InChIKey of N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is RQLCLYXWQUKRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N9O6/c1-2-31(15-23-59-37-10-5-29(25-45)40-34(37)4-3-16-46-40)48-41(55)30-6-11-38(47-26-30)52-17-13-28(14-18-52)27-50-19-21-51(22-20-50)32-7-8-33-35(24-32)44(58)53(43(33)57)36-9-12-39(54)49-42(36)56/h3-8,10-11,16,24,26,28,31,36H,2,9,12-15,17-23,27H2,1H3,(H,48,55)(H,49,54,56).

What are the key properties of N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 797.92 g/mol, XLogP of 3.92, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(8-cyanoquinolin-5-yl)oxypentan-3-yl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155296720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).