N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide

C21H21N3O3 — CID 136624987

IUPACN-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C21H21N3O3/c1-3-13(2)21(27)24-20-19(15-6-10-17(26)11-7-15)23-18(12-22-20)14-4-8-16(25)9-5-14/h4-13,25-26H,3H2,1-2H3,(H,22,24,27)
InChIKeyQHDVMWIBNHTGSJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.21
Rot. Bonds5

About N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide

N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide (PubChem CID 136624987) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
PubChem CID136624987
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C21H21N3O3/c1-3-13(2)21(27)24-20-19(15-6-10-17(26)11-7-15)23-18(12-22-20)14-4-8-16(25)9-5-14/h4-13,25-26H,3H2,1-2H3,(H,22,24,27)
InChIKeyQHDVMWIBNHTGSJ-UHFFFAOYSA-N
XLogP4.21
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide
CID 123965461
N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide
CID 123843502
N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide
CID 143000514
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide
CID 137101630
2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
CID 136624974
2-(4-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-5-(4-nitrosophenyl)pyrazin-2-yl]acetamide
CID 143001007
N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide
CID 143000408
N-[5-(4-aminophenyl)-3-(2,3-dihydrothiophen-2-yl)pyrazin-2-yl]-2-methylbutanamide
CID 89009470
N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide
CID 136624968
2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 140639417
N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide
CID 137125590
N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001238

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide?
The IUPAC name of N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide (CID 136624987) is N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1.
What is the InChIKey of N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide?
The InChIKey is QHDVMWIBNHTGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-13(2)21(27)24-20-19(15-6-10-17(26)11-7-15)23-18(12-22-20)14-4-8-16(25)9-5-14/h4-13,25-26H,3H2,1-2H3,(H,22,24,27).
What are the key properties of N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide?
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide has a molecular weight of 363.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide is sourced from PubChem (CID 136624987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).