N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide

C26H21N3O2 — CID 123669034

IUPACN-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide
SMILESO=C(Nc1ncc(-c2ccc(CO)cc2)nc1C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-18-20-11-14-21(15-12-20)24-17-27-25(29-26(31)22-9-5-2-6-10-22)23(28-24)16-13-19-7-3-1-4-8-19/h1-17,30H,18H2,(H,27,29,31)
InChIKeyOYOKEILACKVOCH-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.06
Rot. Bonds6

About N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide

N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide (PubChem CID 123669034) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide
PubChem CID123669034
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC NameN-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide
SMILESO=C(Nc1ncc(-c2ccc(CO)cc2)nc1C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-18-20-11-14-21(15-12-20)24-17-27-25(29-26(31)22-9-5-2-6-10-22)23(28-24)16-13-19-7-3-1-4-8-19/h1-17,30H,18H2,(H,27,29,31)
InChIKeyOYOKEILACKVOCH-UHFFFAOYSA-N
XLogP5.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
CID 135980268
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
N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 136625436
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-(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-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide
CID 77497002
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-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
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide?
The IUPAC name of N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide (CID 123669034) is N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide?
The canonical SMILES for N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide is O=C(Nc1ncc(-c2ccc(CO)cc2)nc1C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide?
The InChIKey is OYOKEILACKVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c30-18-20-11-14-21(15-12-20)24-17-27-25(29-26(31)22-9-5-2-6-10-22)23(28-24)16-13-19-7-3-1-4-8-19/h1-17,30H,18H2,(H,27,29,31).
What are the key properties of N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide?
N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(hydroxymethyl)phenyl]-3-(2-phenylethenyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 123669034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).