[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C18H20N6O6 — CID 16524473

About [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 16524473) has the molecular formula C18H20N6O6 and a molecular weight of 416.39 g/mol. Its IUPAC name is [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

• Compound Name: [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
• PubChem CID: 16524473
• Molecular Formula: C18H20N6O6
• Molecular Weight: 416.39 g/mol
• Exact Mass: 416.14
• IUPAC Name: [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
• SMILES: Cc1cnc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2cnc(C)cn2)cn1
• InChI: InChI=1S/C18H20N6O6/c1-11-5-23-13(7-21-11)17(27)29-9-15(25)19-3-4-20-16(26)10-30-18(28)14-8-22-12(2)6-24-14/h5-8H,3-4,9-10H2,1-2H3,(H,19,25)(H,20,26)
• InChIKey: JPFPOEIPKCFJSY-UHFFFAOYSA-N
• XLogP: -0.87
• TPSA: 162.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.39
LogP ≤ 5	-0.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?

The IUPAC name of [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 16524473) is [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

What is the SMILES notation for [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?

The canonical SMILES for [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2cnc(C)cn2)cn1.

What is the InChIKey of [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?

The InChIKey is JPFPOEIPKCFJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O6/c1-11-5-23-13(7-21-11)17(27)29-9-15(25)19-3-4-20-16(26)10-30-18(28)14-8-22-12(2)6-24-14/h5-8H,3-4,9-10H2,1-2H3,(H,19,25)(H,20,26).

What are the key properties of [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?

[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 416.39 g/mol, XLogP of -0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 16524473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).