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

C26H20IN3O2 — CID 136625436

IUPACN-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
SMILESO=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(O)cc2)nc1/C=C/c1ccccc1
InChIInChI=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+
InChIKeyWPWHGQZBHMUZSL-OVCLIPMQSA-N
MW533.37 g/mol
LogP5.81
Rot. Bonds6

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 NameN-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
PubChem CID136625436
Molecular FormulaC26H20IN3O2
Molecular Weight533.37 g/mol
Exact Mass533.06
IUPAC NameN-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
SMILESO=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(O)cc2)nc1/C=C/c1ccccc1
InChIInChI=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+
InChIKeyWPWHGQZBHMUZSL-OVCLIPMQSA-N
XLogP5.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.37
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).