About N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide (PubChem CID 167458994) has the molecular formula C25H26N6O5S
and a molecular weight of 522.59 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide.
Molecular Properties
| Compound Name | N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide |
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| PubChem CID | 167458994 |
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| Molecular Formula | C25H26N6O5S |
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| Molecular Weight | 522.59 g/mol |
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| Exact Mass | 522.17 |
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| IUPAC Name | N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide |
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| SMILES | CC(CCn1ccc(-c2ccc(-c3cn(Cc4ccccn4)nn3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O |
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| InChI | InChI=1S/C25H26N6O5S/c1-25(24(33)28-34,37(2,35)36)11-14-30-13-10-20(15-23(30)32)18-6-8-19(9-7-18)22-17-31(29-27-22)16-21-5-3-4-12-26-21/h3-10,12-13,15,17,34H,11,14,16H2,1-2H3,(H,28,33) |
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| InChIKey | CRAZSEASPQWRFX-UHFFFAOYSA-N |
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| XLogP | 1.92 |
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| TPSA | 149.07 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 522.59 |
| LogP ≤ 5 | 1.92 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
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 N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide (CID 167458994) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide is CC(CCn1ccc(-c2ccc(-c3cn(Cc4ccccn4)nn3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide?
The InChIKey is CRAZSEASPQWRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O5S/c1-25(24(33)28-34,37(2,35)36)11-14-30-13-10-20(15-23(30)32)18-6-8-19(9-7-18)22-17-31(29-27-22)16-21-5-3-4-12-26-21/h3-10,12-13,15,17,34H,11,14,16H2,1-2H3,(H,28,33).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide has a molecular weight of 522.59 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide is sourced from PubChem (CID 167458994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).