2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide

C22H23N3O5 — CID 22520493

IUPAC2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc(-n2ccn(CC(=O)Nc3cc(C)cc(C)c3)c(=O)c2=O)cc1OC
InChIInChI=1S/C22H23N3O5/c1-14-9-15(2)11-16(10-14)23-20(26)13-24-7-8-25(22(28)21(24)27)17-5-6-18(29-3)19(12-17)30-4/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyQXRKTYKRWZENON-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.27
Rot. Bonds6

About 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide

2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 22520493) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID22520493
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc(-n2ccn(CC(=O)Nc3cc(C)cc(C)c3)c(=O)c2=O)cc1OC
InChIInChI=1S/C22H23N3O5/c1-14-9-15(2)11-16(10-14)23-20(26)13-24-7-8-25(22(28)21(24)27)17-5-6-18(29-3)19(12-17)30-4/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyQXRKTYKRWZENON-UHFFFAOYSA-N
XLogP2.27
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide 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-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591694
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18591691
N-(2,4-dimethoxyphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591689
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 50928754
N-(2,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520431
2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22520390
2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7286907
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 28635923
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22520365
N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 7286929
2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide
CID 7286900
1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520485

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide (CID 22520493) is 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide is COc1ccc(-n2ccn(CC(=O)Nc3cc(C)cc(C)c3)c(=O)c2=O)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is QXRKTYKRWZENON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14-9-15(2)11-16(10-14)23-20(26)13-24-7-8-25(22(28)21(24)27)17-5-6-18(29-3)19(12-17)30-4/h5-12H,13H2,1-4H3,(H,23,26).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 22520493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).