5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C45H54N8O8 — CID 154671762

About 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 154671762) has the molecular formula C45H54N8O8 and a molecular weight of 834.97 g/mol. Its IUPAC name is 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 154671762
• Molecular Formula: C45H54N8O8
• Molecular Weight: 834.97 g/mol
• Exact Mass: 834.41
• IUPAC Name: 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCC(CCN5C6CC5CN(c5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)c(OC)c3)cn(C)c(=O)c2C1
• InChI: InChI=1S/C45H54N8O8/c1-46-45(59)50-15-12-31-34(23-48(2)42(56)35(31)25-50)27-17-38(60-3)36(39(18-27)61-4)24-49-13-9-26(10-14-49)11-16-52-29-19-30(52)22-51(21-29)28-5-6-32-33(20-28)44(58)53(43(32)57)37-7-8-40(54)47-41(37)55/h5-6,17-18,20,23,26,29-30,37H,7-16,19,21-22,24-25H2,1-4H3,(H,46,59)(H,47,54,55)
• InChIKey: CYAISENWPREDHW-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 166.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.97
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 154671762) is 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCC(CCN5C6CC5CN(c5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)c(OC)c3)cn(C)c(=O)c2C1.

What is the InChIKey of 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is CYAISENWPREDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H54N8O8/c1-46-45(59)50-15-12-31-34(23-48(2)42(56)35(31)25-50)27-17-38(60-3)36(39(18-27)61-4)24-49-13-9-26(10-14-49)11-16-52-29-19-30(52)22-51(21-29)28-5-6-32-33(20-28)44(58)53(43(32)57)37-7-8-40(54)47-41(37)55/h5-6,17-18,20,23,26,29-30,37H,7-16,19,21-22,24-25H2,1-4H3,(H,46,59)(H,47,54,55).

What are the key properties of 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 834.97 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 154671762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).