3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide

C43H50N8O8 — CID 154672148

About 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide

3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide (PubChem CID 154672148) has the molecular formula C43H50N8O8 and a molecular weight of 806.92 g/mol. Its IUPAC name is 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide
• PubChem CID: 154672148
• Molecular Formula: C43H50N8O8
• Molecular Weight: 806.92 g/mol
• Exact Mass: 806.38
• IUPAC Name: 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(N)(C(=O)NCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C43H50N8O8/c1-49-22-30(27-15-18-45-21-29(27)39(49)54)26-19-34(58-2)31(35(20-26)59-3)23-50-24-43(44,25-50)42(57)47-17-9-7-5-4-6-8-16-46-32-12-10-11-28-37(32)41(56)51(40(28)55)33-13-14-36(52)48-38(33)53/h10-12,15,18-22,33,46H,4-9,13-14,16-17,23-25,44H2,1-3H3,(H,47,57)(H,48,52,53)
• InChIKey: BEJINLCAFKLQQW-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 207.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.92
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

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 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide?

The IUPAC name of 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide (CID 154672148) is 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide.

What is the SMILES notation for 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide?

The canonical SMILES for 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(N)(C(=O)NCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide?

The InChIKey is BEJINLCAFKLQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N8O8/c1-49-22-30(27-15-18-45-21-29(27)39(49)54)26-19-34(58-2)31(35(20-26)59-3)23-50-24-43(44,25-50)42(57)47-17-9-7-5-4-6-8-16-46-32-12-10-11-28-37(32)41(56)51(40(28)55)33-13-14-36(52)48-38(33)53/h10-12,15,18-22,33,46H,4-9,13-14,16-17,23-25,44H2,1-3H3,(H,47,57)(H,48,52,53).

What are the key properties of 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide?

3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide has a molecular weight of 806.92 g/mol, XLogP of 3.10, 17 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide is sourced from PubChem (CID 154672148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).