About N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 15887344) has the molecular formula C18H23FN6O5S
and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide.
Molecular Properties
| Compound Name | N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide |
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| PubChem CID | 15887344 |
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| Molecular Formula | C18H23FN6O5S |
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| Molecular Weight | 454.48 g/mol |
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| Exact Mass | 454.14 |
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| IUPAC Name | N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide |
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| SMILES | Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)NCCON=C(N)N |
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| InChI | InChI=1S/C18H23FN6O5S/c1-12-6-7-15(24-31(28,29)11-13-4-2-3-5-14(13)19)17(27)25(12)10-16(26)22-8-9-30-23-18(20)21/h2-7,24H,8-11H2,1H3,(H,22,26)(H4,20,21,23) |
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| InChIKey | RSPPNSFAHWSMPV-UHFFFAOYSA-N |
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| XLogP | -0.44 |
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| TPSA | 170.90 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 31 |
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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 | 454.48 |
| LogP ≤ 5 | -0.44 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 15887344) is N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)NCCON=C(N)N.
What is the InChIKey of N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is RSPPNSFAHWSMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O5S/c1-12-6-7-15(24-31(28,29)11-13-4-2-3-5-14(13)19)17(27)25(12)10-16(26)22-8-9-30-23-18(20)21/h2-7,24H,8-11H2,1H3,(H,22,26)(H4,20,21,23).
What are the key properties of N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 454.48 g/mol, XLogP of -0.44, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 15887344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).