(2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C23H24FN3O6S — CID 88880321

IUPAC(2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccc(-c3cc(=O)n(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc3F)cc2)cn1
InChIInChI=1S/C23H24FN3O6S/c1-23(22(29)26-30,34(3,31)32)10-11-27-14-19(24)18(12-21(27)28)16-6-4-15(5-7-16)17-8-9-20(33-2)25-13-17/h4-9,12-14,30H,10-11H2,1-3H3,(H,26,29)/t23-/m1/s1
InChIKeyFXZBCVSROFYQOR-HSZRJFAPSA-N
MW489.53 g/mol
LogP2.42
Rot. Bonds8

About (2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88880321) has the molecular formula C23H24FN3O6S and a molecular weight of 489.53 g/mol. Its IUPAC name is (2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID88880321
Molecular FormulaC23H24FN3O6S
Molecular Weight489.53 g/mol
Exact Mass489.14
IUPAC Name(2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccc(-c3cc(=O)n(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc3F)cc2)cn1
InChIInChI=1S/C23H24FN3O6S/c1-23(22(29)26-30,34(3,31)32)10-11-27-14-19(24)18(12-21(27)28)16-6-4-15(5-7-16)17-8-9-20(33-2)25-13-17/h4-9,12-14,30H,10-11H2,1-3H3,(H,26,29)/t23-/m1/s1
InChIKeyFXZBCVSROFYQOR-HSZRJFAPSA-N
XLogP2.42
TPSA127.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88880321) is (2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is COc1ccc(-c2ccc(-c3cc(=O)n(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc3F)cc2)cn1.
What is the InChIKey of (2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is FXZBCVSROFYQOR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24FN3O6S/c1-23(22(29)26-30,34(3,31)32)10-11-27-14-19(24)18(12-21(27)28)16-6-4-15(5-7-16)17-8-9-20(33-2)25-13-17/h4-9,12-14,30H,10-11H2,1-3H3,(H,26,29)/t23-/m1/s1.
What are the key properties of (2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 489.53 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88880321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).