2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide

C21H21N3O4 — CID 22423901

IUPAC2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn(CCc3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-28-18-9-7-17(8-10-18)22-19(25)15-24-14-13-23(20(26)21(24)27)12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,22,25)
InChIKeyFQGNMIBCHYAKSJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.90
Rot. Bonds7

About 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 22423901) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID22423901
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn(CCc3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-28-18-9-7-17(8-10-18)22-19(25)15-24-14-13-23(20(26)21(24)27)12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,22,25)
InChIKeyFQGNMIBCHYAKSJ-UHFFFAOYSA-N
XLogP1.90
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 62102933
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18591691
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22520365
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53062936
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 27443487
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
2-[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993894
N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645180
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211
N-(4-methoxyphenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 116624934
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 53164302

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 22423901) is 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ccn(CCc3ccccc3)c(=O)c2=O)cc1.
What is the InChIKey of 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is FQGNMIBCHYAKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-28-18-9-7-17(8-10-18)22-19(25)15-24-14-13-23(20(26)21(24)27)12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,22,25).
What are the key properties of 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 22423901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).