5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide

C27H49N5O10 — CID 58462486

About 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide

5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide (PubChem CID 58462486) has the molecular formula C27H49N5O10 and a molecular weight of 603.71 g/mol. Its IUPAC name is 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide
• PubChem CID: 58462486
• Molecular Formula: C27H49N5O10
• Molecular Weight: 603.71 g/mol
• Exact Mass: 603.35
• IUPAC Name: 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide
• SMILES: COCCOCCOCCOCCCNc1nc(C(N)=O)c(NCCCOCCOCCOCCOC)nc1C(C)=O
• InChI: InChI=1S/C27H49N5O10/c1-22(33)23-26(29-6-4-8-37-14-16-41-20-18-39-12-10-35-2)32-24(25(28)34)27(31-23)30-7-5-9-38-15-17-42-21-19-40-13-11-36-3/h4-21H2,1-3H3,(H2,28,34)(H,29,32)(H,30,31)
• InChIKey: XCSDFEPJZYVIRA-UHFFFAOYSA-N
• XLogP: 0.77
• TPSA: 183.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.71
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide?

The IUPAC name of 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide (CID 58462486) is 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide?

The canonical SMILES for 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide is COCCOCCOCCOCCCNc1nc(C(N)=O)c(NCCCOCCOCCOCCOC)nc1C(C)=O.

What is the InChIKey of 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide?

The InChIKey is XCSDFEPJZYVIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N5O10/c1-22(33)23-26(29-6-4-8-37-14-16-41-20-18-39-12-10-35-2)32-24(25(28)34)27(31-23)30-7-5-9-38-15-17-42-21-19-40-13-11-36-3/h4-21H2,1-3H3,(H2,28,34)(H,29,32)(H,30,31).

What are the key properties of 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide?

5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide has a molecular weight of 603.71 g/mol, XLogP of 0.77, 30 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 58462486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).