About 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide (PubChem CID 10698559) has the molecular formula C35H35N7O2
and a molecular weight of 585.71 g/mol. Its IUPAC name is 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide.
Molecular Properties
| Compound Name | 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide |
|---|
| PubChem CID | 10698559 |
|---|
| Molecular Formula | C35H35N7O2 |
|---|
| Molecular Weight | 585.71 g/mol |
|---|
| Exact Mass | 585.29 |
|---|
| IUPAC Name | 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide |
|---|
| SMILES | Cc1cccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(C)cccc6nc45)cccc3nc12 |
|---|
| InChI | InChI=1S/C35H35N7O2/c1-22-10-4-14-26-30(22)38-28-16-6-12-24(32(28)40-26)34(43)36-18-8-20-42(3)21-9-19-37-35(44)25-13-7-17-29-33(25)41-27-15-5-11-23(2)31(27)39-29/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,36,43)(H,37,44) |
|---|
| InChIKey | ZOXUWIRMMVRDQC-UHFFFAOYSA-N |
|---|
| XLogP | 5.37 |
|---|
| TPSA | 113.00 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 44 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 585.71 |
| LogP ≤ 5 | 5.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|
Analyze 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The IUPAC name of 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide (CID 10698559) is 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide is Cc1cccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(C)cccc6nc45)cccc3nc12.
What is the InChIKey of 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The InChIKey is ZOXUWIRMMVRDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O2/c1-22-10-4-14-26-30(22)38-28-16-6-12-24(32(28)40-26)34(43)36-18-8-20-42(3)21-9-19-37-35(44)25-13-7-17-29-33(25)41-27-15-5-11-23(2)31(27)39-29/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,36,43)(H,37,44).
What are the key properties of 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10698559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).