4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C20H23FN2O6S — CID 88880187

IUPAC4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1cc(F)c(-c2ccc(OC3CC3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H23FN2O6S/c1-20(19(25)22-26,30(2,27)28)9-10-23-12-17(21)16(11-18(23)24)13-3-5-14(6-4-13)29-15-7-8-15/h3-6,11-12,15,26H,7-10H2,1-2H3,(H,22,25)
InChIKeyZAEUNVVREJRFKN-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.89
Rot. Bonds8

About 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88880187) has the molecular formula C20H23FN2O6S and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID88880187
Molecular FormulaC20H23FN2O6S
Molecular Weight438.48 g/mol
Exact Mass438.13
IUPAC Name4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1cc(F)c(-c2ccc(OC3CC3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H23FN2O6S/c1-20(19(25)22-26,30(2,27)28)9-10-23-12-17(21)16(11-18(23)24)13-3-5-14(6-4-13)29-15-7-8-15/h3-6,11-12,15,26H,7-10H2,1-2H3,(H,22,25)
InChIKeyZAEUNVVREJRFKN-UHFFFAOYSA-N
XLogP1.89
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

PF-5081090
CID 56964907
N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 76510680
(2R)-N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 57325604
(2R)-4-[4-(3-fluoro-4-methoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57325689
(2R)-N-hydroxy-4-[4-(2-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 57325602
(2R)-N-hydroxy-4-[4-(3-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 57325603
(2R)-4-[4-(2-fluoro-3-methoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57325605
(2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
CID 145946001
(2S)-4-[5-(2-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 155516840
(2R)-4-[5-Fluoro-4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 60172487
(2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 138454242
(2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 138454243

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88880187) is 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1cc(F)c(-c2ccc(OC3CC3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is ZAEUNVVREJRFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O6S/c1-20(19(25)22-26,30(2,27)28)9-10-23-12-17(21)16(11-18(23)24)13-3-5-14(6-4-13)29-15-7-8-15/h3-6,11-12,15,26H,7-10H2,1-2H3,(H,22,25).
What are the key properties of 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 438.48 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclopropyloxyphenyl)-5-fluoro-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88880187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).