About 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide
9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide (PubChem CID 10675094) has the molecular formula C35H36N8O2
and a molecular weight of 600.73 g/mol. Its IUPAC name is 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide.
Molecular Properties
| Compound Name | 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide |
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| PubChem CID | 10675094 |
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| Molecular Formula | C35H36N8O2 |
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| Molecular Weight | 600.73 g/mol |
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| Exact Mass | 600.30 |
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| IUPAC Name | 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide |
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| SMILES | Cc1cccc2nc3cccc(C(=O)NCCNCCCNCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12 |
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| InChI | InChI=1S/C35H36N8O2/c1-22-8-3-12-26-30(22)42-32-24(10-5-14-28(32)40-26)34(44)38-20-18-36-16-7-17-37-19-21-39-35(45)25-11-6-15-29-33(25)43-31-23(2)9-4-13-27(31)41-29/h3-6,8-15,36-37H,7,16-21H2,1-2H3,(H,38,44)(H,39,45) |
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| InChIKey | CEJAIVFJGXQNMM-UHFFFAOYSA-N |
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| XLogP | 4.23 |
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| TPSA | 133.82 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 45 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 600.73 |
| LogP ≤ 5 | 4.23 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide?
The IUPAC name of 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide (CID 10675094) is 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide.
What is the SMILES notation for 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide?
The canonical SMILES for 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide is Cc1cccc2nc3cccc(C(=O)NCCNCCCNCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12.
What is the InChIKey of 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide?
The InChIKey is CEJAIVFJGXQNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N8O2/c1-22-8-3-12-26-30(22)42-32-24(10-5-14-28(32)40-26)34(44)38-20-18-36-16-7-17-37-19-21-39-35(45)25-11-6-15-29-33(25)43-31-23(2)9-4-13-27(31)41-29/h3-6,8-15,36-37H,7,16-21H2,1-2H3,(H,38,44)(H,39,45).
What are the key properties of 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide?
9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide has a molecular weight of 600.73 g/mol, XLogP of 4.23, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide is sourced from PubChem (CID 10675094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).