4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H19N3O5S — CID 90116202

IUPAC4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccccc2C#N)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H19N3O5S/c1-18(17(23)20-24,27(2,25)26)8-10-21-9-7-13(11-16(21)22)15-6-4-3-5-14(15)12-19/h3-7,9,11,24H,8,10H2,1-2H3,(H,20,23)
InChIKeyNAZAETARWYKFPX-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.09
Rot. Bonds6

About 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116202) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90116202
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccccc2C#N)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H19N3O5S/c1-18(17(23)20-24,27(2,25)26)8-10-21-9-7-13(11-16(21)22)15-6-4-3-5-14(15)12-19/h3-7,9,11,24H,8,10H2,1-2H3,(H,20,23)
InChIKeyNAZAETARWYKFPX-UHFFFAOYSA-N
XLogP1.09
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90116202) is 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1ccc(-c2ccccc2C#N)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is NAZAETARWYKFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-18(17(23)20-24,27(2,25)26)8-10-21-9-7-13(11-16(21)22)15-6-4-3-5-14(15)12-19/h3-7,9,11,24H,8,10H2,1-2H3,(H,20,23).
What are the key properties of 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 389.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).