2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide

C26H23N3O — CID 143000963

IUPAC2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccccc3)nc2-c2ccccc2)cc1C
InChIInChI=1S/C26H23N3O/c1-18-13-14-20(15-19(18)2)16-24(30)29-26-25(22-11-7-4-8-12-22)28-23(17-27-26)21-9-5-3-6-10-21/h3-15,17H,16H2,1-2H3,(H,27,29,30)
InChIKeyRHUUXJSAVSHVAX-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.61
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide

2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide (PubChem CID 143000963) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide
PubChem CID143000963
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccccc3)nc2-c2ccccc2)cc1C
InChIInChI=1S/C26H23N3O/c1-18-13-14-20(15-19(18)2)16-24(30)29-26-25(22-11-7-4-8-12-22)28-23(17-27-26)21-9-5-3-6-10-21/h3-15,17H,16H2,1-2H3,(H,27,29,30)
InChIKeyRHUUXJSAVSHVAX-UHFFFAOYSA-N
XLogP5.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide (CID 143000963) is 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide is Cc1ccc(CC(=O)Nc2ncc(-c3ccccc3)nc2-c2ccccc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide?
The InChIKey is RHUUXJSAVSHVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-18-13-14-20(15-19(18)2)16-24(30)29-26-25(22-11-7-4-8-12-22)28-23(17-27-26)21-9-5-3-6-10-21/h3-15,17H,16H2,1-2H3,(H,27,29,30).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide?
2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide is sourced from PubChem (CID 143000963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).