2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide

C24H24BrN3O2 — CID 136625342

IUPAC2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1
InChIInChI=1S/C24H24BrN3O2/c25-19-9-5-17(6-10-19)14-23(30)28-24-21(13-16-3-1-2-4-16)27-22(15-26-24)18-7-11-20(29)12-8-18/h5-12,15-16,29H,1-4,13-14H2,(H,26,28,30)
InChIKeyOZXIPEPVPBBHOC-UHFFFAOYSA-N
MW466.38 g/mol
LogP5.53
Rot. Bonds6

About 2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide

2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide (PubChem CID 136625342) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
PubChem CID136625342
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC Name2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1
InChIInChI=1S/C24H24BrN3O2/c25-19-9-5-17(6-10-19)14-23(30)28-24-21(13-16-3-1-2-4-16)27-22(15-26-24)18-7-11-20(29)12-8-18/h5-12,15-16,29H,1-4,13-14H2,(H,26,28,30)
InChIKeyOZXIPEPVPBBHOC-UHFFFAOYSA-N
XLogP5.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.38
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
CID 123392811
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-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123882448
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
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
N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 59510395
N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
CID 59510400
N-[3-(cyclopentylmethyl)-5-[4-(1-hydroxyethyl)phenyl]pyrazin-2-yl]-2-[4-(oxiran-2-yl)phenyl]acetamide
CID 88905243
2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 140639417
N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123893590

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide (CID 136625342) is 2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
The InChIKey is OZXIPEPVPBBHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O2/c25-19-9-5-17(6-10-19)14-23(30)28-24-21(13-16-3-1-2-4-16)27-22(15-26-24)18-7-11-20(29)12-8-18/h5-12,15-16,29H,1-4,13-14H2,(H,26,28,30).
What are the key properties of 2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide has a molecular weight of 466.38 g/mol, XLogP of 5.53, 6 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-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 136625342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).