(2S)-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-2-carboxamide

C43H49N7O8 — CID 154672082

About (2S)-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-2-carboxamide

(2S)-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-2-carboxamide (PubChem CID 154672082) has the molecular formula C43H49N7O8 and a molecular weight of 791.91 g/mol. Its IUPAC name is (2S)-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-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-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-2-carboxamide
• PubChem CID: 154672082
• Molecular Formula: C43H49N7O8
• Molecular Weight: 791.91 g/mol
• Exact Mass: 791.36
• IUPAC Name: (2S)-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-2-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC[C@H]1C(=O)NCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C43H49N7O8/c1-48-24-30(27-15-19-44-23-29(27)41(48)54)26-21-35(57-2)31(36(22-26)58-3)25-49-20-16-33(49)39(52)46-18-9-7-5-4-6-8-17-45-32-12-10-11-28-38(32)43(56)50(42(28)55)34-13-14-37(51)47-40(34)53/h10-12,15,19,21-24,33-34,45H,4-9,13-14,16-18,20,25H2,1-3H3,(H,46,52)(H,47,51,53)/t33-,34?/m0/s1
• InChIKey: GVWZEBMFVZAINC-CDRRMRQFSA-N
• XLogP: 4.16
• TPSA: 181.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.91
LogP ≤ 5	4.16
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 (2S)-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-2-carboxamide?

The IUPAC name of (2S)-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-2-carboxamide (CID 154672082) is (2S)-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-2-carboxamide.

What is the SMILES notation for (2S)-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-2-carboxamide?

The canonical SMILES for (2S)-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-2-carboxamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC[C@H]1C(=O)NCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of (2S)-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-2-carboxamide?

The InChIKey is GVWZEBMFVZAINC-CDRRMRQFSA-N. The full InChI is InChI=1S/C43H49N7O8/c1-48-24-30(27-15-19-44-23-29(27)41(48)54)26-21-35(57-2)31(36(22-26)58-3)25-49-20-16-33(49)39(52)46-18-9-7-5-4-6-8-17-45-32-12-10-11-28-38(32)43(56)50(42(28)55)34-13-14-37(51)47-40(34)53/h10-12,15,19,21-24,33-34,45H,4-9,13-14,16-18,20,25H2,1-3H3,(H,46,52)(H,47,51,53)/t33-,34?/m0/s1.

What are the key properties of (2S)-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-2-carboxamide?

(2S)-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-2-carboxamide has a molecular weight of 791.91 g/mol, XLogP of 4.16, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-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-2-carboxamide is sourced from PubChem (CID 154672082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).