N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide

C25H26N6O5S — CID 167459027

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide
SMILESCC(CCn1ccc(-c2ccc(-c3cn(Cc4ccncc4)nn3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C25H26N6O5S/c1-25(24(33)28-34,37(2,35)36)10-14-30-13-9-21(15-23(30)32)19-3-5-20(6-4-19)22-17-31(29-27-22)16-18-7-11-26-12-8-18/h3-9,11-13,15,17,34H,10,14,16H2,1-2H3,(H,28,33)
InChIKeyWHGMJARADUCKCJ-UHFFFAOYSA-N
MW522.59 g/mol
LogP1.92
Rot. Bonds9

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide (PubChem CID 167459027) 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-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide
PubChem CID167459027
Molecular FormulaC25H26N6O5S
Molecular Weight522.59 g/mol
Exact Mass522.17
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide
SMILESCC(CCn1ccc(-c2ccc(-c3cn(Cc4ccncc4)nn3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C25H26N6O5S/c1-25(24(33)28-34,37(2,35)36)10-14-30-13-9-21(15-23(30)32)19-3-5-20(6-4-19)22-17-31(29-27-22)16-18-7-11-26-12-8-18/h3-9,11-13,15,17,34H,10,14,16H2,1-2H3,(H,28,33)
InChIKeyWHGMJARADUCKCJ-UHFFFAOYSA-N
XLogP1.92
TPSA149.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.59
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
(2R)-N-hydroxy-2-methyl-4-[4-[4-(1-methylimidazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116515
N-hydroxy-2-methyl-4-[4-[4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 140640860
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640885
4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116031
2-methyl-2-methylsulfonyl-4-[4-[4-[1-[(4-nitrophenyl)methyl]triazol-4-yl]phenyl]-2-oxo-1-pyridinyl]-N-(oxan-2-yloxy)butanamide
CID 175833599
N-hydroxy-4-[4-[4-(3-hydroxypropyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 86671938
(2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 130207770
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
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-pyridin-2-yl-1-pyridinyl)butanamide
CID 57326892
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-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-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide (CID 167459027) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-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-4-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-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide is CC(CCn1ccc(-c2ccc(-c3cn(Cc4ccncc4)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-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide?
The InChIKey is WHGMJARADUCKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O5S/c1-25(24(33)28-34,37(2,35)36)10-14-30-13-9-21(15-23(30)32)19-3-5-20(6-4-19)22-17-31(29-27-22)16-18-7-11-26-12-8-18/h3-9,11-13,15,17,34H,10,14,16H2,1-2H3,(H,28,33).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-4-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-4-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide is sourced from PubChem (CID 167459027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).