9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide

C36H38N8O2 — CID 10579668

About 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide

9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide (PubChem CID 10579668) has the molecular formula C36H38N8O2 and a molecular weight of 614.75 g/mol. Its IUPAC name is 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide.

Molecular Properties

• Compound Name: 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide
• PubChem CID: 10579668
• Molecular Formula: C36H38N8O2
• Molecular Weight: 614.75 g/mol
• Exact Mass: 614.31
• IUPAC Name: 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide
• SMILES: Cc1cccc2nc3cccc(C(=O)NCCCNCCNCCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12
• InChI: InChI=1S/C36H38N8O2/c1-23-9-3-13-27-31(23)43-33-25(11-5-15-29(33)41-27)35(45)39-19-7-17-37-21-22-38-18-8-20-40-36(46)26-12-6-16-30-34(26)44-32-24(2)10-4-14-28(32)42-30/h3-6,9-16,37-38H,7-8,17-22H2,1-2H3,(H,39,45)(H,40,46)
• InChIKey: DLJZWLIXFWXLNJ-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 133.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.75
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide?

The IUPAC name of 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide (CID 10579668) is 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide.

What is the SMILES notation for 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide?

The canonical SMILES for 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide is Cc1cccc2nc3cccc(C(=O)NCCCNCCNCCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12.

What is the InChIKey of 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide?

The InChIKey is DLJZWLIXFWXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N8O2/c1-23-9-3-13-27-31(23)43-33-25(11-5-15-29(33)41-27)35(45)39-19-7-17-37-21-22-38-18-8-20-40-36(46)26-12-6-16-30-34(26)44-32-24(2)10-4-14-28(32)42-30/h3-6,9-16,37-38H,7-8,17-22H2,1-2H3,(H,39,45)(H,40,46).

What are the key properties of 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide?

9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide has a molecular weight of 614.75 g/mol, XLogP of 4.62, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10579668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).