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

C43H43N9O6 — CID 155277998

About N-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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 155277998) has the molecular formula C43H43N9O6 and a molecular weight of 781.87 g/mol. Its IUPAC name is N-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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: 155277998
• Molecular Formula: C43H43N9O6
• Molecular Weight: 781.87 g/mol
• Exact Mass: 781.33
• IUPAC Name: N-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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: N#Cc1ccc(OC2CC(NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)C2)c2cccnc12
• InChI: InChI=1S/C43H43N9O6/c44-23-27-3-8-36(33-2-1-13-45-39(27)33)58-31-20-29(21-31)47-40(54)28-4-9-37(46-24-28)51-14-11-26(12-15-51)25-49-16-18-50(19-17-49)30-5-6-32-34(22-30)43(57)52(42(32)56)35-7-10-38(53)48-41(35)55/h1-6,8-9,13,22,24,26,29,31,35H,7,10-12,14-21,25H2,(H,47,54)(H,48,53,55)
• InChIKey: NHKYVCSCWHBVJU-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 181.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.87
LogP ≤ 5	3.28
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-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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 155277998) is N-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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 N#Cc1ccc(OC2CC(NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)C2)c2cccnc12.

What is the InChIKey of N-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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 NHKYVCSCWHBVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N9O6/c44-23-27-3-8-36(33-2-1-13-45-39(27)33)58-31-20-29(21-31)47-40(54)28-4-9-37(46-24-28)51-14-11-26(12-15-51)25-49-16-18-50(19-17-49)30-5-6-32-34(22-30)43(57)52(42(32)56)35-7-10-38(53)48-41(35)55/h1-6,8-9,13,22,24,26,29,31,35H,7,10-12,14-21,25H2,(H,47,54)(H,48,53,55).

What are the key properties of N-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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 781.87 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(8-cyanoquinolin-5-yl)oxycyclobutyl]-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 155277998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).