N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide

C26H20IN3O2 — CID 136625436

About N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide

N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide (PubChem CID 136625436) has the molecular formula C26H20IN3O2 and a molecular weight of 533.37 g/mol. Its IUPAC name is N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
• PubChem CID: 136625436
• Molecular Formula: C26H20IN3O2
• Molecular Weight: 533.37 g/mol
• Exact Mass: 533.06
• IUPAC Name: N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
• SMILES: O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(O)cc2)nc1/C=C/c1ccccc1
• InChI: InChI=1S/C26H20IN3O2/c27-21-11-6-19(7-12-21)16-25(32)30-26-23(15-8-18-4-2-1-3-5-18)29-24(17-28-26)20-9-13-22(31)14-10-20/h1-15,17,31H,16H2,(H,28,30,32)/b15-8+
• InChIKey: WPWHGQZBHMUZSL-OVCLIPMQSA-N
• XLogP: 5.81
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.37
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide?

The IUPAC name of N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide (CID 136625436) is N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide.

What is the SMILES notation for N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide?

The canonical SMILES for N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide is O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(O)cc2)nc1/C=C/c1ccccc1.

What is the InChIKey of N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide?

The InChIKey is WPWHGQZBHMUZSL-OVCLIPMQSA-N. The full InChI is InChI=1S/C26H20IN3O2/c27-21-11-6-19(7-12-21)16-25(32)30-26-23(15-8-18-4-2-1-3-5-18)29-24(17-28-26)20-9-13-22(31)14-10-20/h1-15,17,31H,16H2,(H,28,30,32)/b15-8+.

What are the key properties of N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide?

N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide has a molecular weight of 533.37 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide is sourced from PubChem (CID 136625436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).