2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

C22H20N4O4 — CID 53030670

IUPAC2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ncccc32)o1
InChIInChI=1S/C22H20N4O4/c1-15-9-10-17(30-15)12-24-19(27)14-25-18-8-5-11-23-20(18)26(22(29)21(25)28)13-16-6-3-2-4-7-16/h2-11H,12-14H2,1H3,(H,24,27)
InChIKeyHPGDEMVEFOWGAN-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.82
Rot. Bonds6

About 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 53030670) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID53030670
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ncccc32)o1
InChIInChI=1S/C22H20N4O4/c1-15-9-10-17(30-15)12-24-19(27)14-25-18-8-5-11-23-20(18)26(22(29)21(25)28)13-16-6-3-2-4-7-16/h2-11H,12-14H2,1H3,(H,24,27)
InChIKeyHPGDEMVEFOWGAN-UHFFFAOYSA-N
XLogP1.82
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 53030670) is 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ncccc32)o1.
What is the InChIKey of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is HPGDEMVEFOWGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-15-9-10-17(30-15)12-24-19(27)14-25-18-8-5-11-23-20(18)26(22(29)21(25)28)13-16-6-3-2-4-7-16/h2-11H,12-14H2,1H3,(H,24,27).
What are the key properties of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 404.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 53030670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).