N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide

C28H27N3O2 — CID 136624996

IUPACN-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1
InChIInChI=1S/C28H27N3O2/c32-24-13-11-22(12-14-24)26-18-29-28(25(30-26)16-19-5-1-2-6-19)31-27(33)17-20-9-10-21-7-3-4-8-23(21)15-20/h3-4,7-15,18-19,32H,1-2,5-6,16-17H2,(H,29,31,33)
InChIKeyZNUAGJXWFNXXJH-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.92
Rot. Bonds6

About N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide

N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide (PubChem CID 136624996) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
PubChem CID136624996
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1
InChIInChI=1S/C28H27N3O2/c32-24-13-11-22(12-14-24)26-18-29-28(25(30-26)16-19-5-1-2-6-19)31-27(33)17-20-9-10-21-7-3-4-8-23(21)15-20/h3-4,7-15,18-19,32H,1-2,5-6,16-17H2,(H,29,31,33)
InChIKeyZNUAGJXWFNXXJH-UHFFFAOYSA-N
XLogP5.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123882448
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-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
CID 123392811
N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123893590
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-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
CID 59510400
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-(1-hydroxyethyl)phenyl]pyrazin-2-yl]-2-[4-(oxiran-2-yl)phenyl]acetamide
CID 88905243

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide (CID 136624996) is N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)Nc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1.
What is the InChIKey of N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is ZNUAGJXWFNXXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c32-24-13-11-22(12-14-24)26-18-29-28(25(30-26)16-19-5-1-2-6-19)31-27(33)17-20-9-10-21-7-3-4-8-23(21)15-20/h3-4,7-15,18-19,32H,1-2,5-6,16-17H2,(H,29,31,33).
What are the key properties of N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide?
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 437.54 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 136624996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).