6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C21H21N7O6 — CID 139534643

About 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 139534643) has the molecular formula C21H21N7O6 and a molecular weight of 467.44 g/mol. Its IUPAC name is 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 139534643
• Molecular Formula: C21H21N7O6
• Molecular Weight: 467.44 g/mol
• Exact Mass: 467.16
• IUPAC Name: 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: Cn1c(=O)cnc2ccc(OCCNCC3CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O3)nc21
• InChI: InChI=1S/C21H21N7O6/c1-27-18(30)9-23-13-2-5-17(26-20(13)27)32-7-6-22-8-12-10-28(21(31)34-12)15-4-3-14-19(24-15)25-16(29)11-33-14/h2-5,9,12,22H,6-8,10-11H2,1H3,(H,24,25,29)
• InChIKey: AXAOIOFGFFHLAR-UHFFFAOYSA-N
• XLogP: 0.05
• TPSA: 149.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.44
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 139534643) is 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cn1c(=O)cnc2ccc(OCCNCC3CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O3)nc21.

What is the InChIKey of 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is AXAOIOFGFFHLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O6/c1-27-18(30)9-23-13-2-5-17(26-20(13)27)32-7-6-22-8-12-10-28(21(31)34-12)15-4-3-14-19(24-15)25-16(29)11-33-14/h2-5,9,12,22H,6-8,10-11H2,1H3,(H,24,25,29).

What are the key properties of 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 467.44 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 139534643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).