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

C25H21N3O3 — CID 137101630

IUPACN-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C25H21N3O3/c29-20-11-7-18(8-12-20)22-16-26-25(24(27-22)19-9-13-21(30)14-10-19)28-23(31)15-6-17-4-2-1-3-5-17/h1-5,7-14,16,29-30H,6,15H2,(H,26,28,31)
InChIKeyWGIVCTGDZUQDGL-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.79
Rot. Bonds6

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

N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide (PubChem CID 137101630) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide
PubChem CID137101630
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C25H21N3O3/c29-20-11-7-18(8-12-20)22-16-26-25(24(27-22)19-9-13-21(30)14-10-19)28-23(31)15-6-17-4-2-1-3-5-17/h1-5,7-14,16,29-30H,6,15H2,(H,26,28,31)
InChIKeyWGIVCTGDZUQDGL-UHFFFAOYSA-N
XLogP4.79
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
CID 136624974
2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 140639417
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
CID 136624987
2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
CID 135980268
2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide
CID 143000963
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide
CID 143001210
N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001238
N-[3-(1-adamantylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-phenylpropanamide
CID 123757455
N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 136625436
N-[3-benzyl-5-(4-methylphenyl)pyrazin-2-yl]octanamide
CID 101152388
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-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide (CID 137101630) is N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1.
What is the InChIKey of N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide?
The InChIKey is WGIVCTGDZUQDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-20-11-7-18(8-12-20)22-16-26-25(24(27-22)19-9-13-21(30)14-10-19)28-23(31)15-6-17-4-2-1-3-5-17/h1-5,7-14,16,29-30H,6,15H2,(H,26,28,31).
What are the key properties of N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide?
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide has a molecular weight of 411.46 g/mol, XLogP of 4.79, 6 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]-3-phenylpropanamide is sourced from PubChem (CID 137101630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).