About (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
(2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116103) has the molecular formula C23H22N4O6S
and a molecular weight of 482.52 g/mol. Its IUPAC name is (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
Molecular Properties
| Compound Name | (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide |
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| PubChem CID | 90116103 |
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| Molecular Formula | C23H22N4O6S |
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| Molecular Weight | 482.52 g/mol |
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| Exact Mass | 482.13 |
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| IUPAC Name | (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide |
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| SMILES | C[C@@](CCn1ccc(-c2ccc(Oc3ncccc3C#N)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O |
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| InChI | InChI=1S/C23H22N4O6S/c1-23(22(29)26-30,34(2,31)32)10-13-27-12-9-17(14-20(27)28)16-5-7-19(8-6-16)33-21-18(15-24)4-3-11-25-21/h3-9,11-12,14,30H,10,13H2,1-2H3,(H,26,29)/t23-/m1/s1 |
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| InChIKey | FBOBWQCMYGIKOU-HSZRJFAPSA-N |
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| XLogP | 2.27 |
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| TPSA | 151.38 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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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 | 482.52 |
| LogP ≤ 5 | 2.27 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', '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 (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90116103) is (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCn1ccc(-c2ccc(Oc3ncccc3C#N)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is FBOBWQCMYGIKOU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22N4O6S/c1-23(22(29)26-30,34(2,31)32)10-13-27-12-9-17(14-20(27)28)16-5-7-19(8-6-16)33-21-18(15-24)4-3-11-25-21/h3-9,11-12,14,30H,10,13H2,1-2H3,(H,26,29)/t23-/m1/s1.
What are the key properties of (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 482.52 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).