(2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C21H25N5O5S — CID 90115817

IUPAC(2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1nc(C)n(-c2ccc(-c3ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)cc2)n1
InChIInChI=1S/C21H25N5O5S/c1-14-22-15(2)26(23-14)18-7-5-16(6-8-18)17-9-11-25(19(27)13-17)12-10-21(3,20(28)24-29)32(4,30)31/h5-9,11,13,29H,10,12H2,1-4H3,(H,24,28)/t21-/m1/s1
InChIKeyGCYICAKSLJEQOF-OAQYLSRUSA-N
MW459.53 g/mol
LogP1.41
Rot. Bonds7

About (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90115817) has the molecular formula C21H25N5O5S and a molecular weight of 459.53 g/mol. Its IUPAC name is (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90115817
Molecular FormulaC21H25N5O5S
Molecular Weight459.53 g/mol
Exact Mass459.16
IUPAC Name(2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1nc(C)n(-c2ccc(-c3ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)cc2)n1
InChIInChI=1S/C21H25N5O5S/c1-14-22-15(2)26(23-14)18-7-5-16(6-8-18)17-9-11-25(19(27)13-17)12-10-21(3,20(28)24-29)32(4,30)31/h5-9,11,13,29H,10,12H2,1-4H3,(H,24,28)/t21-/m1/s1
InChIKeyGCYICAKSLJEQOF-OAQYLSRUSA-N
XLogP1.41
TPSA136.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 51.41
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'}

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Launch Full Analysis

Related Compounds

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640885
(2R)-N-hydroxy-2-methyl-4-[4-[4-(1-methylimidazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116515
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
N-hydroxy-4-[4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 140640861
4-[4-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90115848
4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116303
N-hydroxy-2-methyl-4-[4-[4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 140640860
4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116031
(2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 130207770
N-hydroxy-4-[4-[4-(3-hydroxypropyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 86671938

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90115817) is (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is Cc1nc(C)n(-c2ccc(-c3ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)cc2)n1.
What is the InChIKey of (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is GCYICAKSLJEQOF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N5O5S/c1-14-22-15(2)26(23-14)18-7-5-16(6-8-18)17-9-11-25(19(27)13-17)12-10-21(3,20(28)24-29)32(4,30)31/h5-9,11,13,29H,10,12H2,1-4H3,(H,24,28)/t21-/m1/s1.
What are the key properties of (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 459.53 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90115817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).