2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide

C26H28ClN3O2 — CID 136625233

IUPAC2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccc(O)cc2)nc1CCC1CCCCC1
InChIInChI=1S/C26H28ClN3O2/c27-21-11-6-19(7-12-21)16-25(32)30-26-23(15-8-18-4-2-1-3-5-18)29-24(17-28-26)20-9-13-22(31)14-10-20/h6-7,9-14,17-18,31H,1-5,8,15-16H2,(H,28,30,32)
InChIKeyWIMGBPSFWXDDJK-UHFFFAOYSA-N
MW449.98 g/mol
LogP6.20
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide

2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide (PubChem CID 136625233) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
PubChem CID136625233
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccc(O)cc2)nc1CCC1CCCCC1
InChIInChI=1S/C26H28ClN3O2/c27-21-11-6-19(7-12-21)16-25(32)30-26-23(15-8-18-4-2-1-3-5-18)29-24(17-28-26)20-9-13-22(31)14-10-20/h6-7,9-14,17-18,31H,1-5,8,15-16H2,(H,28,30,32)
InChIKeyWIMGBPSFWXDDJK-UHFFFAOYSA-N
XLogP6.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
CID 143000636
N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143000334
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
N-[3-(2-cyclohexylethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3-methylbutanamide
CID 123781945
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-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide
CID 89009351
2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
CID 123392811
N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123882448
2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
CID 136624974
N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-phenylpropanamide
CID 159051784
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide (CID 136625233) is 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccc(O)cc2)nc1CCC1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
The InChIKey is WIMGBPSFWXDDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-21-11-6-19(7-12-21)16-25(32)30-26-23(15-8-18-4-2-1-3-5-18)29-24(17-28-26)20-9-13-22(31)14-10-20/h6-7,9-14,17-18,31H,1-5,8,15-16H2,(H,28,30,32).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide has a molecular weight of 449.98 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 136625233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).