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

C26H21N3O3 — CID 135980268

IUPAC2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(O)cc2)nc1/C=C/c1ccccc1
InChIInChI=1S/C26H21N3O3/c30-21-11-6-19(7-12-21)16-25(32)29-26-23(15-8-18-4-2-1-3-5-18)28-24(17-27-26)20-9-13-22(31)14-10-20/h1-15,17,30-31H,16H2,(H,27,29,32)/b15-8+
InChIKeyDRRPQWXSZBHVCF-OVCLIPMQSA-N
MW423.47 g/mol
LogP4.91
Rot. Bonds6

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

2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide (PubChem CID 135980268) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
PubChem CID135980268
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(O)cc2)nc1/C=C/c1ccccc1
InChIInChI=1S/C26H21N3O3/c30-21-11-6-19(7-12-21)16-25(32)29-26-23(15-8-18-4-2-1-3-5-18)28-24(17-27-26)20-9-13-22(31)14-10-20/h1-15,17,30-31H,16H2,(H,27,29,32)/b15-8+
InChIKeyDRRPQWXSZBHVCF-OVCLIPMQSA-N
XLogP4.91
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 136625436
2-phenyl-N-[5-phenyl-3-(2-phenylethenyl)pyrazin-2-yl]acetamide
CID 77496875
N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide
CID 77497000
2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 161312011
N-[5-(4-aminophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[5-(4-aminophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-chlorophenyl)acetamide;N-[5-(4-aminophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-fluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 159315155
N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
CID 77496997
2-(2,3,4,5,6-pentafluorophenyl)-N-[5-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
CID 140639364
N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 140639355
N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide
CID 123669034
N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-3-phenylpropanamide
CID 160783148
2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
CID 136624974
N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide
CID 77497002

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide (CID 135980268) is 2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide is O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(O)cc2)nc1/C=C/c1ccccc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide?
The InChIKey is DRRPQWXSZBHVCF-OVCLIPMQSA-N. The full InChI is InChI=1S/C26H21N3O3/c30-21-11-6-19(7-12-21)16-25(32)29-26-23(15-8-18-4-2-1-3-5-18)28-24(17-27-26)20-9-13-22(31)14-10-20/h1-15,17,30-31H,16H2,(H,27,29,32)/b15-8+.
What are the key properties of 2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide?
2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 135980268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).