About N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide
N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide (PubChem CID 10134929) has the molecular formula C22H23N5O2
and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide.
Molecular Properties
| Compound Name | N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide |
| PubChem CID | 10134929 |
| Molecular Formula | C22H23N5O2 |
| Molecular Weight | 389.46 g/mol |
| Exact Mass | 389.19 |
| IUPAC Name | N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide |
| SMILES | COc1nccc2c1ccc1nc3cccc(C(=O)N[C@H](C)CN(C)C)c3nc12 |
| InChI | InChI=1S/C22H23N5O2/c1-13(12-27(2)3)24-21(28)16-6-5-7-17-20(16)26-19-14-10-11-23-22(29-4)15(14)8-9-18(19)25-17/h5-11,13H,12H2,1-4H3,(H,24,28)/t13-/m1/s1 |
| InChIKey | UGXORRBYTBFCQV-CYBMUJFWSA-N |
| XLogP | 3.02 |
| TPSA | 80.24 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 29 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 389.46 |
| LogP ≤ 5 | 3.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide?
The IUPAC name of N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide (CID 10134929) is N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide.
What is the SMILES notation for N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide?
The canonical SMILES for N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide is COc1nccc2c1ccc1nc3cccc(C(=O)N[C@H](C)CN(C)C)c3nc12.
What is the InChIKey of N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide?
The InChIKey is UGXORRBYTBFCQV-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13(12-27(2)3)24-21(28)16-6-5-7-17-20(16)26-19-14-10-11-23-22(29-4)15(14)8-9-18(19)25-17/h5-11,13H,12H2,1-4H3,(H,24,28)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide?
N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide is sourced from PubChem (CID 10134929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).