C44H51FFmN9O8- — CID 176579669
N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide (PubChem CID 176579669) has the molecular formula C44H51FFmN9O8- and a molecular weight of 1109.94 g/mol. Its IUPAC name is N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide.
| Compound Name | N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide |
|---|---|
| PubChem CID | 176579669 |
| Molecular Formula | C44H51FFmN9O8- |
| Molecular Weight | 1109.94 g/mol |
| Exact Mass | 1109.48 |
| IUPAC Name | N-[5-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-3-pyridinyl]acetamide;fermium;N-[2-[2-[[2-[4-[2-fluoro-5-[(2Z)-2-(formylhydrazinylidene)-2-(2-methylphenyl)ethyl]benzoyl]piperazin-1-yl]-2-oxoethyl]-(oxomethyl)amino]ethoxy]ethyl]formamide |
| SMILES | CCn1cc(-c2cnc(C)c(NC(C)=O)c2)ccc1=O.Cc1ccccc1/C(Cc1ccc(F)c(C(=O)N2CCN(C(=O)CN([C-]=O)CCOCCNC=O)CC2)c1)=N\NC=O.[Fm] |
| InChI | InChI=1S/C29H34FN6O6.C15H17N3O2.Fm/c1-22-4-2-3-5-24(22)27(33-32-20-38)17-23-6-7-26(30)25(16-23)29(41)36-11-9-35(10-12-36)28(40)18-34(21-39)13-15-42-14-8-31-19-37;1-4-18-9-12(5-6-15(18)20)13-7-14(17-11(3)19)10(2)16-8-13;/h2-7,16,19-20H,8-15,17-18H2,1H3,(H,31,37)(H,32,38);5-9H,4H2,1-3H3,(H,17,19);/q-1;;/b33-27-;; |
| InChIKey | CVFHYQYDHKXANN-CVGXREQNSA-N |
| XLogP | 2.44 |
| TPSA | 204.71 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 63 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1109.94 |
| LogP ≤ 5 | 2.44 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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