5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C39H43N7O8 — CID 164715649

About 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 164715649) has the molecular formula C39H43N7O8 and a molecular weight of 737.81 g/mol. Its IUPAC name is 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 164715649
• Molecular Formula: C39H43N7O8
• Molecular Weight: 737.81 g/mol
• Exact Mass: 737.32
• IUPAC Name: 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]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(CNC4CC5(C4)CN(c4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)c(OC)c3)cn(C)c(=O)c2C1
• InChI: InChI=1S/C39H43N7O8/c1-40-38(52)44-10-9-24-28(17-43(2)35(49)29(24)18-44)21-11-31(53-3)27(32(12-21)54-4)16-41-22-14-39(15-22)19-45(20-39)23-5-6-25-26(13-23)37(51)46(36(25)50)30-7-8-33(47)42-34(30)48/h5-6,11-13,17,22,30,41H,7-10,14-16,18-20H2,1-4H3,(H,40,52)(H,42,47,48)
• InChIKey: VDKAVUKCODINMB-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 171.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.81
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 164715649) is 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]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-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]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(CNC4CC5(C4)CN(c4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)c(OC)c3)cn(C)c(=O)c2C1.

What is the InChIKey of 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is VDKAVUKCODINMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N7O8/c1-40-38(52)44-10-9-24-28(17-43(2)35(49)29(24)18-44)21-11-31(53-3)27(32(12-21)54-4)16-41-22-14-39(15-22)19-45(20-39)23-5-6-25-26(13-23)37(51)46(36(25)50)30-7-8-33(47)42-34(30)48/h5-6,11-13,17,22,30,41H,7-10,14-16,18-20H2,1-4H3,(H,40,52)(H,42,47,48).

What are the key properties of 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 737.81 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 164715649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).