2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide

C24H25IN6O4 — CID 10175278

About 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide

2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide (PubChem CID 10175278) has the molecular formula C24H25IN6O4 and a molecular weight of 588.41 g/mol. Its IUPAC name is 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide
• PubChem CID: 10175278
• Molecular Formula: C24H25IN6O4
• Molecular Weight: 588.41 g/mol
• Exact Mass: 588.10
• IUPAC Name: 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide
• SMILES: CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nc3)nc2n(CCC)c1=O
• InChI: InChI=1S/C24H25IN6O4/c1-3-11-30-22-20(23(33)31(12-4-2)24(30)34)28-21(29-22)15-5-10-19(26-13-15)35-14-18(32)27-17-8-6-16(25)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,32)(H,28,29)
• InChIKey: WGRAZIVXYYXTOP-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 123.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.41
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide?

The IUPAC name of 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide (CID 10175278) is 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide.

What is the SMILES notation for 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide?

The canonical SMILES for 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide is CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nc3)nc2n(CCC)c1=O.

What is the InChIKey of 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide?

The InChIKey is WGRAZIVXYYXTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25IN6O4/c1-3-11-30-22-20(23(33)31(12-4-2)24(30)34)28-21(29-22)15-5-10-19(26-13-15)35-14-18(32)27-17-8-6-16(25)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,32)(H,28,29).

What are the key properties of 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide?

2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide has a molecular weight of 588.41 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]oxy]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 10175278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).