About (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide
(6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 127050721) has the molecular formula C20H27FN4O5
and a molecular weight of 422.46 g/mol. Its IUPAC name is (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide.
Molecular Properties
| Compound Name | (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide |
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| PubChem CID | 127050721 |
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| Molecular Formula | C20H27FN4O5 |
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| Molecular Weight | 422.46 g/mol |
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| Exact Mass | 422.20 |
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| IUPAC Name | (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide |
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| SMILES | CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)/N=c1/ccc(F)cn1O |
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| InChI | InChI=1S/C20H27FN4O5/c1-2-3-4-14(10-23(29)13-26)19(28)24-12-20(7-8-20)9-16(24)18(27)22-17-6-5-15(21)11-25(17)30/h5-6,11,13-14,16,29-30H,2-4,7-10,12H2,1H3/b22-17-/t14-,16+/m1/s1 |
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| InChIKey | BQZIBIGGSDTACA-VCVJJXFASA-N |
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| XLogP | 1.33 |
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| TPSA | 115.44 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 422.46 |
| LogP ≤ 5 | 1.33 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide (CID 127050721) is (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)/N=c1/ccc(F)cn1O.
What is the InChIKey of (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is BQZIBIGGSDTACA-VCVJJXFASA-N. The full InChI is InChI=1S/C20H27FN4O5/c1-2-3-4-14(10-23(29)13-26)19(28)24-12-20(7-8-20)9-16(24)18(27)22-17-6-5-15(21)11-25(17)30/h5-6,11,13-14,16,29-30H,2-4,7-10,12H2,1H3/b22-17-/t14-,16+/m1/s1.
What are the key properties of (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
(6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 127050721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).