N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide

C23H25N3O3 — CID 123569135

IUPACN-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)Cc1nc(-c2ccc(CO)cc2)cnc1NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C23H25N3O3/c1-15(2)11-20-23(26-22(29)12-16-5-9-19(28)10-6-16)24-13-21(25-20)18-7-3-17(14-27)4-8-18/h3-10,13,15,27-28H,11-12,14H2,1-2H3,(H,24,26,29)
InChIKeyCFNRDKAZSLFNNP-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.72
Rot. Bonds7

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

N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 123569135) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID123569135
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)Cc1nc(-c2ccc(CO)cc2)cnc1NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C23H25N3O3/c1-15(2)11-20-23(26-22(29)12-16-5-9-19(28)10-6-16)24-13-21(25-20)18-7-3-17(14-27)4-8-18/h3-10,13,15,27-28H,11-12,14H2,1-2H3,(H,24,26,29)
InChIKeyCFNRDKAZSLFNNP-UHFFFAOYSA-N
XLogP3.72
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide
CID 143000180
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide
CID 136624968
N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123882448
2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
CID 123392811
N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
CID 143000636
N-[3-(2-cyclohexylethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3-methylbutanamide
CID 123781945
N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001238
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
2-(4-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-5-(4-nitrosophenyl)pyrazin-2-yl]acetamide
CID 143001007
ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 143000025
N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001080

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (CID 123569135) is N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is CC(C)Cc1nc(-c2ccc(CO)cc2)cnc1NC(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is CFNRDKAZSLFNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(2)11-20-23(26-22(29)12-16-5-9-19(28)10-6-16)24-13-21(25-20)18-7-3-17(14-27)4-8-18/h3-10,13,15,27-28H,11-12,14H2,1-2H3,(H,24,26,29).
What are the key properties of N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 123569135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).