N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide

C26H23N3O3 — CID 143001080

IUPACN-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccc(O)cc3)nc2C(O)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O3/c1-17-7-9-18(10-8-17)15-23(31)29-26-24(25(32)20-5-3-2-4-6-20)28-22(16-27-26)19-11-13-21(30)14-12-19/h2-14,16,25,30,32H,15H2,1H3,(H,27,29,31)
InChIKeyFEWAALMXBHEBBQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.42
Rot. Bonds6

About N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide

N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide (PubChem CID 143001080) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
PubChem CID143001080
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccc(O)cc3)nc2C(O)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O3/c1-17-7-9-18(10-8-17)15-23(31)29-26-24(25(32)20-5-3-2-4-6-20)28-22(16-27-26)19-11-13-21(30)14-12-19/h2-14,16,25,30,32H,15H2,1H3,(H,27,29,31)
InChIKeyFEWAALMXBHEBBQ-UHFFFAOYSA-N
XLogP4.42
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide (CID 143001080) is N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ncc(-c3ccc(O)cc3)nc2C(O)c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is FEWAALMXBHEBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-17-7-9-18(10-8-17)15-23(31)29-26-24(25(32)20-5-3-2-4-6-20)28-22(16-27-26)19-11-13-21(30)14-12-19/h2-14,16,25,30,32H,15H2,1H3,(H,27,29,31).
What are the key properties of N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 143001080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).