N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide

C38H35N7O8 — CID 158595960

About N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide

N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide (PubChem CID 158595960) has the molecular formula C38H35N7O8 and a molecular weight of 717.74 g/mol. Its IUPAC name is N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide
• PubChem CID: 158595960
• Molecular Formula: C38H35N7O8
• Molecular Weight: 717.74 g/mol
• Exact Mass: 717.25
• IUPAC Name: N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide
• SMILES: C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCOCCNC(=O)COc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C38H35N7O8/c1-22-5-9-30(36(48)43-22)45-37(49)26-3-2-4-31(35(26)38(45)50)52-20-32(46)40-13-15-51-16-14-41-33(47)21-53-34-10-7-24(18-42-34)23-6-8-25-27-19-39-12-11-28(27)44-29(25)17-23/h2-4,6-8,10-12,17-19,30,44H,1,5,9,13-16,20-21H2,(H,40,46)(H,41,47)(H,43,48)
• InChIKey: AGHQZQGFBZSIFA-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 193.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	717.74
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

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 N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide?

The IUPAC name of N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide (CID 158595960) is N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide.

What is the SMILES notation for N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide?

The canonical SMILES for N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide is C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCOCCNC(=O)COc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)c3C2=O)C(=O)N1.

What is the InChIKey of N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide?

The InChIKey is AGHQZQGFBZSIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N7O8/c1-22-5-9-30(36(48)43-22)45-37(49)26-3-2-4-31(35(26)38(45)50)52-20-32(46)40-13-15-51-16-14-41-33(47)21-53-34-10-7-24(18-42-34)23-6-8-25-27-19-39-12-11-28(27)44-29(25)17-23/h2-4,6-8,10-12,17-19,30,44H,1,5,9,13-16,20-21H2,(H,40,46)(H,41,47)(H,43,48).

What are the key properties of N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide?

N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide has a molecular weight of 717.74 g/mol, XLogP of 2.87, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide is sourced from PubChem (CID 158595960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).