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

C40H24N6O9 — CID 158276798

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

(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxylate (PubChem CID 158276798) has the molecular formula C40H24N6O9 and a molecular weight of 732.67 g/mol. Its IUPAC name is (5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

• Compound Name: (5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxylate
• PubChem CID: 158276798
• Molecular Formula: C40H24N6O9
• Molecular Weight: 732.67 g/mol
• Exact Mass: 732.16
• IUPAC Name: (5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxylate
• SMILES: Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1
• InChI: InChI=1S/C40H24N6O9/c41-23-3-15-33(43-19-23)54-39(51)21-1-13-29-31(17-21)37(49)45(35(29)47)25-5-9-27(10-6-25)53-28-11-7-26(8-12-28)46-36(48)30-14-2-22(18-32(30)38(46)50)40(52)55-34-16-4-24(42)20-44-34/h1-20H,41-42H2
• InChIKey: DPYMCCAXOOIRAU-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 214.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	732.67
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxylate (CID 158276798) is (5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxylate.

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

The canonical SMILES for (5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxylate is Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1.

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

The InChIKey is DPYMCCAXOOIRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6O9/c41-23-3-15-33(43-19-23)54-39(51)21-1-13-29-31(17-21)37(49)45(35(29)47)25-5-9-27(10-6-25)53-28-11-7-26(8-12-28)46-36(48)30-14-2-22(18-32(30)38(46)50)40(52)55-34-16-4-24(42)20-44-34/h1-20H,41-42H2.

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

(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 732.67 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 158276798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).