N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide

C26H22N4O — CID 77497000

IUPACN-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide
SMILESNc1ccc(-c2cnc(NC(=O)Cc3ccccc3)c(C=Cc3ccccc3)n2)cc1
InChIInChI=1S/C26H22N4O/c27-22-14-12-21(13-15-22)24-18-28-26(30-25(31)17-20-9-5-2-6-10-20)23(29-24)16-11-19-7-3-1-4-8-19/h1-16,18H,17,27H2,(H,28,30,31)
InChIKeyWHDIXCZHBDIARK-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.08
Rot. Bonds6

About N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide

N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide (PubChem CID 77497000) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide
PubChem CID77497000
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC NameN-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide
SMILESNc1ccc(-c2cnc(NC(=O)Cc3ccccc3)c(C=Cc3ccccc3)n2)cc1
InChIInChI=1S/C26H22N4O/c27-22-14-12-21(13-15-22)24-18-28-26(30-25(31)17-20-9-5-2-6-10-20)23(29-24)16-11-19-7-3-1-4-8-19/h1-16,18H,17,27H2,(H,28,30,31)
InChIKeyWHDIXCZHBDIARK-UHFFFAOYSA-N
XLogP5.08
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-naphthalen-2-ylacetamide
CID 77496997
2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
CID 135980268
N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 136625436
N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide
CID 77497002
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
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-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
N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide
CID 123669034
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-[8-amino-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide
CID 77496852

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide (CID 77497000) is N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide is Nc1ccc(-c2cnc(NC(=O)Cc3ccccc3)c(C=Cc3ccccc3)n2)cc1.
What is the InChIKey of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide?
The InChIKey is WHDIXCZHBDIARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c27-22-14-12-21(13-15-22)24-18-28-26(30-25(31)17-20-9-5-2-6-10-20)23(29-24)16-11-19-7-3-1-4-8-19/h1-16,18H,17,27H2,(H,28,30,31).
What are the key properties of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide?
N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide has a molecular weight of 406.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-phenylacetamide is sourced from PubChem (CID 77497000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).