2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide

C44H49N7O8 — CID 155044614

About 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide

2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 155044614) has the molecular formula C44H49N7O8 and a molecular weight of 803.92 g/mol. Its IUPAC name is 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

• Compound Name: 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide
• PubChem CID: 155044614
• Molecular Formula: C44H49N7O8
• Molecular Weight: 803.92 g/mol
• Exact Mass: 803.36
• IUPAC Name: 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC2(CC(C(=O)NCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C1
• InChI: InChI=1S/C44H49N7O8/c1-49-22-31(28-13-16-45-21-30(28)41(49)55)26-17-35(58-2)32(36(18-26)59-3)23-50-24-44(25-50)19-27(20-44)39(53)47-15-7-5-4-6-14-46-33-10-8-9-29-38(33)43(57)51(42(29)56)34-11-12-37(52)48-40(34)54/h8-10,13,16-18,21-22,27,34,46H,4-7,11-12,14-15,19-20,23-25H2,1-3H3,(H,47,53)(H,48,52,54)
• InChIKey: RQDJPPCIGGWIFR-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 181.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.92
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide?

The IUPAC name of 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide (CID 155044614) is 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide.

What is the SMILES notation for 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide?

The canonical SMILES for 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC2(CC(C(=O)NCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C1.

What is the InChIKey of 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide?

The InChIKey is RQDJPPCIGGWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49N7O8/c1-49-22-31(28-13-16-45-21-30(28)41(49)55)26-17-35(58-2)32(36(18-26)59-3)23-50-24-44(25-50)19-27(20-44)39(53)47-15-7-5-4-6-14-46-33-10-8-9-29-38(33)43(57)51(42(29)56)34-11-12-37(52)48-40(34)54/h8-10,13,16-18,21-22,27,34,46H,4-7,11-12,14-15,19-20,23-25H2,1-3H3,(H,47,53)(H,48,52,54).

What are the key properties of 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide?

2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 803.92 g/mol, XLogP of 4.02, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 155044614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).