(2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C23H22N4O6S — CID 90116103

IUPAC(2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1ccc(-c2ccc(Oc3ncccc3C#N)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=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
InChIKeyFBOBWQCMYGIKOU-HSZRJFAPSA-N
MW482.52 g/mol
LogP2.27
Rot. Bonds8

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
PubChem CID90116103
Molecular FormulaC23H22N4O6S
Molecular Weight482.52 g/mol
Exact Mass482.13
IUPAC Name(2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1ccc(-c2ccc(Oc3ncccc3C#N)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=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
InChIKeyFBOBWQCMYGIKOU-HSZRJFAPSA-N
XLogP2.27
TPSA151.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 57326895
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 51356116
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(1-oxidopyridin-1-ium-4-yl)methoxy]phenyl]butanamide
CID 56951130
1-(3-Methylbutyl)-2-oxo-4-(4-pyridin-2-yloxyphenyl)pyridine-3-carbonitrile
CID 70689924
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 51355579
N-hydroxy-2-methyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663372
N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663396
N-hydroxy-2-methyl-4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663412
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 91663426
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide
CID 91663433
N,N-dimethyl-1-[4-({5-[(methylsulfonyl)methyl]pyridin-2-yl}oxy)phenyl]methanamine
CID 56723185
(2R)-4-[5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880321

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).