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

C42H49N7O9 — CID 164715739

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

5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 164715739) has the molecular formula C42H49N7O9 and a molecular weight of 795.89 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 164715739
• Molecular Formula: C42H49N7O9
• Molecular Weight: 795.89 g/mol
• Exact Mass: 795.36
• IUPAC Name: 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2CCN(C(=O)NC2CC4(C2)CN(CCOc2ccc5c(c2)C(=O)N(C2CCC(=O)NC2=O)C5=O)C4)C3)cc(OC)c1CN(C)C
• InChI: InChI=1S/C42H49N7O9/c1-45(2)19-32-34(56-4)14-24(15-35(32)57-5)30-20-46(3)38(52)31-21-48(11-10-27(30)31)41(55)43-25-17-42(18-25)22-47(23-42)12-13-58-26-6-7-28-29(16-26)40(54)49(39(28)53)33-8-9-36(50)44-37(33)51/h6-7,14-16,20,25,33H,8-13,17-19,21-23H2,1-5H3,(H,43,55)(H,44,50,51)
• InChIKey: VUBBGKJRWXUGNV-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 172.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.89
LogP ≤ 5	2.14
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-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 164715739) is 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is COc1cc(-c2cn(C)c(=O)c3c2CCN(C(=O)NC2CC4(C2)CN(CCOc2ccc5c(c2)C(=O)N(C2CCC(=O)NC2=O)C5=O)C4)C3)cc(OC)c1CN(C)C.

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

The InChIKey is VUBBGKJRWXUGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H49N7O9/c1-45(2)19-32-34(56-4)14-24(15-35(32)57-5)30-20-46(3)38(52)31-21-48(11-10-27(30)31)41(55)43-25-17-42(18-25)22-47(23-42)12-13-58-26-6-7-28-29(16-26)40(54)49(39(28)53)33-8-9-36(50)44-37(33)51/h6-7,14-16,20,25,33H,8-13,17-19,21-23H2,1-5H3,(H,43,55)(H,44,50,51).

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

5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 795.89 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-azaspiro[3.3]heptan-6-yl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 164715739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).