5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C44H54N8O8 — CID 154671555

About 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 154671555) has the molecular formula C44H54N8O8 and a molecular weight of 822.96 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-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-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 154671555
• Molecular Formula: C44H54N8O8
• Molecular Weight: 822.96 g/mol
• Exact Mass: 822.41
• IUPAC Name: 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2CCN(C(=O)NCCCN2CCC4(CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C2)C3)cc(OC)c1CN(C)C
• InChI: InChI=1S/C44H54N8O8/c1-47(2)22-34-36(59-4)19-27(20-37(34)60-5)32-23-48(3)40(55)33-24-50(16-11-29(32)33)43(58)45-14-6-15-49-17-12-44(25-49)13-18-51(26-44)28-7-8-30-31(21-28)42(57)52(41(30)56)35-9-10-38(53)46-39(35)54/h7-8,19-21,23,35H,6,9-18,22,24-26H2,1-5H3,(H,45,58)(H,46,53,54)
• InChIKey: NKTBGOFAGJAELW-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 166.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.96
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', '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 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-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-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 154671555) is 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-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-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-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-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is COc1cc(-c2cn(C)c(=O)c3c2CCN(C(=O)NCCCN2CCC4(CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C2)C3)cc(OC)c1CN(C)C.

What is the InChIKey of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is NKTBGOFAGJAELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54N8O8/c1-47(2)22-34-36(59-4)19-27(20-37(34)60-5)32-23-48(3)40(55)33-24-50(16-11-29(32)33)43(58)45-14-6-15-49-17-12-44(25-49)13-18-51(26-44)28-7-8-30-31(21-28)42(57)52(41(30)56)35-9-10-38(53)46-39(35)54/h7-8,19-21,23,35H,6,9-18,22,24-26H2,1-5H3,(H,45,58)(H,46,53,54).

What are the key properties of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 822.96 g/mol, XLogP of 2.59, 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-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]propyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 154671555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).