8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid

C39H47N7O11 — CID 155026434

About 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid

8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid (PubChem CID 155026434) has the molecular formula C39H47N7O11 and a molecular weight of 789.84 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid.

Molecular Properties

• Compound Name: 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid
• PubChem CID: 155026434
• Molecular Formula: C39H47N7O11
• Molecular Weight: 789.84 g/mol
• Exact Mass: 789.33
• IUPAC Name: 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2CN(C(=O)NCCOCCNc2cccc4c2C(=O)N(C2CCC(=O)NC2=O)C4=O)CC3)cc(OC)c1CN(C)C.O=CO
• InChI: InChI=1S/C38H45N7O9.CH2O2/c1-42(2)19-27-30(52-4)17-22(18-31(27)53-5)25-20-43(3)35(48)23-11-14-44(21-26(23)25)38(51)40-13-16-54-15-12-39-28-8-6-7-24-33(28)37(50)45(36(24)49)29-9-10-32(46)41-34(29)47;2-1-3/h6-8,17-18,20,29,39H,9-16,19,21H2,1-5H3,(H,40,51)(H,41,46,47);1H,(H,2,3)
• InChIKey: QWKLICVJRGRVGB-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 218.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.84
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid?

The IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid (CID 155026434) is 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid.

What is the SMILES notation for 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid?

The canonical SMILES for 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid is COc1cc(-c2cn(C)c(=O)c3c2CN(C(=O)NCCOCCNc2cccc4c2C(=O)N(C2CCC(=O)NC2=O)C4=O)CC3)cc(OC)c1CN(C)C.O=CO.

What is the InChIKey of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid?

The InChIKey is QWKLICVJRGRVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N7O9.CH2O2/c1-42(2)19-27-30(52-4)17-22(18-31(27)53-5)25-20-43(3)35(48)23-11-14-44(21-26(23)25)38(51)40-13-16-54-15-12-39-28-8-6-7-24-33(28)37(50)45(36(24)49)29-9-10-32(46)41-34(29)47;2-1-3/h6-8,17-18,20,29,39H,9-16,19,21H2,1-5H3,(H,40,51)(H,41,46,47);1H,(H,2,3).

What are the key properties of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid?

8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid has a molecular weight of 789.84 g/mol, XLogP of 1.43, 13 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-6-methyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;formic acid is sourced from PubChem (CID 155026434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).