(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate

C41H26N6O8 — CID 157326811

About (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate

(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate (PubChem CID 157326811) has the molecular formula C41H26N6O8 and a molecular weight of 730.69 g/mol. Its IUPAC name is (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

• Compound Name: (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate
• PubChem CID: 157326811
• Molecular Formula: C41H26N6O8
• Molecular Weight: 730.69 g/mol
• Exact Mass: 730.18
• IUPAC Name: (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate
• SMILES: Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)nc7)cc6C5=O)cc4)cc2)C3=O)cn1
• InChI: InChI=1S/C41H26N6O8/c42-34-15-11-28(20-44-34)54-40(52)24-5-13-30-32(18-24)38(50)46(36(30)48)26-7-1-22(2-8-26)17-23-3-9-27(10-4-23)47-37(49)31-14-6-25(19-33(31)39(47)51)41(53)55-29-12-16-35(43)45-21-29/h1-16,18-21H,17H2,(H2,42,44)(H2,43,45)
• InChIKey: KBMDJMQZOLDDLN-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 205.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	730.69
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate?

The IUPAC name of (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate (CID 157326811) is (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate.

What is the SMILES notation for (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate?

The canonical SMILES for (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate is Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)nc7)cc6C5=O)cc4)cc2)C3=O)cn1.

What is the InChIKey of (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate?

The InChIKey is KBMDJMQZOLDDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N6O8/c42-34-15-11-28(20-44-34)54-40(52)24-5-13-30-32(18-24)38(50)46(36(30)48)26-7-1-22(2-8-26)17-23-3-9-27(10-4-23)47-37(49)31-14-6-25(19-33(31)39(47)51)41(53)55-29-12-16-35(43)45-21-29/h1-16,18-21H,17H2,(H2,42,44)(H2,43,45).

What are the key properties of (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate?

(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 730.69 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 157326811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).