N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide

C21H24N8O6 — CID 139553263

IUPACN-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide
SMILESCOC(CNCCOc1ccc2ncc(=O)n(C)c2n1)CN(C=O)c1cnc2c(n1)NC(=O)CO2
InChIInChI=1S/C21H24N8O6/c1-28-18(32)9-23-14-3-4-17(27-20(14)28)34-6-5-22-7-13(33-2)10-29(12-30)15-8-24-21-19(25-15)26-16(31)11-35-21/h3-4,8-9,12-13,22H,5-7,10-11H2,1-2H3,(H,25,26,31)
InChIKeyJALWILBIOKVECG-UHFFFAOYSA-N
MW484.47 g/mol
LogP-0.90
Rot. Bonds11

About N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide

N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide (PubChem CID 139553263) has the molecular formula C21H24N8O6 and a molecular weight of 484.47 g/mol. Its IUPAC name is N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide.

Molecular Properties

Compound NameN-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide
PubChem CID139553263
Molecular FormulaC21H24N8O6
Molecular Weight484.47 g/mol
Exact Mass484.18
IUPAC NameN-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide
SMILESCOC(CNCCOc1ccc2ncc(=O)n(C)c2n1)CN(C=O)c1cnc2c(n1)NC(=O)CO2
InChIInChI=1S/C21H24N8O6/c1-28-18(32)9-23-14-3-4-17(27-20(14)28)34-6-5-22-7-13(33-2)10-29(12-30)15-8-24-21-19(25-15)26-16(31)11-35-21/h3-4,8-9,12-13,22H,5-7,10-11H2,1-2H3,(H,25,26,31)
InChIKeyJALWILBIOKVECG-UHFFFAOYSA-N
XLogP-0.90
TPSA162.69 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.47
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide?
The IUPAC name of N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide (CID 139553263) is N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide.
What is the SMILES notation for N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide?
The canonical SMILES for N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide is COC(CNCCOc1ccc2ncc(=O)n(C)c2n1)CN(C=O)c1cnc2c(n1)NC(=O)CO2.
What is the InChIKey of N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide?
The InChIKey is JALWILBIOKVECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O6/c1-28-18(32)9-23-14-3-4-17(27-20(14)28)34-6-5-22-7-13(33-2)10-29(12-30)15-8-24-21-19(25-15)26-16(31)11-35-21/h3-4,8-9,12-13,22H,5-7,10-11H2,1-2H3,(H,25,26,31).
What are the key properties of N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide?
N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide has a molecular weight of 484.47 g/mol, XLogP of -0.90, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-3-[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]propyl]-N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)formamide is sourced from PubChem (CID 139553263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).