About 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide (PubChem CID 10531397) has the molecular formula C35H35N7O2
and a molecular weight of 585.71 g/mol. Its IUPAC name is 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide.
Molecular Properties
| Compound Name | 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide |
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| PubChem CID | 10531397 |
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| Molecular Formula | C35H35N7O2 |
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| Molecular Weight | 585.71 g/mol |
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| Exact Mass | 585.29 |
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| IUPAC Name | 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide |
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| SMILES | Cc1ccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccc(C)cc6nc45)c3nc2c1 |
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| InChI | InChI=1S/C35H35N7O2/c1-22-12-14-26-30(20-22)40-32-24(8-4-10-28(32)38-26)34(43)36-16-6-18-42(3)19-7-17-37-35(44)25-9-5-11-29-33(25)41-31-21-23(2)13-15-27(31)39-29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,36,43)(H,37,44) |
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| InChIKey | XWZRUIXEKCBDAW-UHFFFAOYSA-N |
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| XLogP | 5.37 |
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| TPSA | 113.00 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| 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'} |
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Frequently Asked Questions
What is the IUPAC name of 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The IUPAC name of 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide (CID 10531397) is 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide is Cc1ccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccc(C)cc6nc45)c3nc2c1.
What is the InChIKey of 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The InChIKey is XWZRUIXEKCBDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O2/c1-22-12-14-26-30(20-22)40-32-24(8-4-10-28(32)38-26)34(43)36-16-6-18-42(3)19-7-17-37-35(44)25-9-5-11-29-33(25)41-31-21-23(2)13-15-27(31)39-29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,36,43)(H,37,44).
What are the key properties of 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
8-methyl-N-[3-[methyl-[3-[(8-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 8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10531397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).