2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide

C26H28BrN3O2 — CID 123392811

IUPAC2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1CC1CCCCC1
InChIInChI=1S/C26H28BrN3O2/c27-22-12-8-19(9-13-22)15-25(32)30-26-23(14-18-4-2-1-3-5-18)29-24(16-28-26)21-10-6-20(17-31)7-11-21/h6-13,16,18,31H,1-5,14-15,17H2,(H,28,30,32)
InChIKeyGHKIFARLSFDNHQ-UHFFFAOYSA-N
MW494.43 g/mol
LogP5.70
Rot. Bonds7

About 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide

2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide (PubChem CID 123392811) has the molecular formula C26H28BrN3O2 and a molecular weight of 494.43 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
PubChem CID123392811
Molecular FormulaC26H28BrN3O2
Molecular Weight494.43 g/mol
Exact Mass493.14
IUPAC Name2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1CC1CCCCC1
InChIInChI=1S/C26H28BrN3O2/c27-22-12-8-19(9-13-22)15-25(32)30-26-23(14-18-4-2-1-3-5-18)29-24(16-28-26)21-10-6-20(17-31)7-11-21/h6-13,16,18,31H,1-5,14-15,17H2,(H,28,30,32)
InChIKeyGHKIFARLSFDNHQ-UHFFFAOYSA-N
XLogP5.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.43
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123882448
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
CID 59510400
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
CID 136624996
N-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 137035124
N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 59510395
N-[3-(cyclopentylmethyl)-5-[4-(1-hydroxyethyl)phenyl]pyrazin-2-yl]-2-[4-(oxiran-2-yl)phenyl]acetamide
CID 88905243
N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123893590
N-[3-(2-cyclohexylethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3-methylbutanamide
CID 123781945
N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123244301
N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
CID 143000636
2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625233

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide (CID 123392811) is 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1CC1CCCCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide?
The InChIKey is GHKIFARLSFDNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN3O2/c27-22-12-8-19(9-13-22)15-25(32)30-26-23(14-18-4-2-1-3-5-18)29-24(16-28-26)21-10-6-20(17-31)7-11-21/h6-13,16,18,31H,1-5,14-15,17H2,(H,28,30,32).
What are the key properties of 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide?
2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide has a molecular weight of 494.43 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 123392811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).