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

C26H26N4O3 — CID 53001145

IUPAC2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C26H26N4O3/c1-19(14-15-20-9-4-2-5-10-20)28-23(31)18-29-22-13-8-16-27-24(22)30(26(33)25(29)32)17-21-11-6-3-7-12-21/h2-13,16,19H,14-15,17-18H2,1H3,(H,28,31)
InChIKeyYPSPJULRZIWPHD-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.74
Rot. Bonds8

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

2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 53001145) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID53001145
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C26H26N4O3/c1-19(14-15-20-9-4-2-5-10-20)28-23(31)18-29-22-13-8-16-27-24(22)30(26(33)25(29)32)17-21-11-6-3-7-12-21/h2-13,16,19H,14-15,17-18H2,1H3,(H,28,31)
InChIKeyYPSPJULRZIWPHD-UHFFFAOYSA-N
XLogP2.74
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 53001145) is 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21.
What is the InChIKey of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is YPSPJULRZIWPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-19(14-15-20-9-4-2-5-10-20)28-23(31)18-29-22-13-8-16-27-24(22)30(26(33)25(29)32)17-21-11-6-3-7-12-21/h2-13,16,19H,14-15,17-18H2,1H3,(H,28,31).
What are the key properties of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 53001145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).