(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

C17H21N3O6S — CID 57326895

IUPAC(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cn1
InChIInChI=1S/C17H21N3O6S/c1-17(16(22)19-23,27(3,24)25)7-9-20-8-6-12(10-15(20)21)13-4-5-14(26-2)18-11-13/h4-6,8,10-11,23H,7,9H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyANBKKJCWFOAXEZ-QGZVFWFLSA-N
MW395.44 g/mol
LogP0.62
Rot. Bonds7

About (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 57326895) has the molecular formula C17H21N3O6S and a molecular weight of 395.44 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID57326895
Molecular FormulaC17H21N3O6S
Molecular Weight395.44 g/mol
Exact Mass395.12
IUPAC Name(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cn1
InChIInChI=1S/C17H21N3O6S/c1-17(16(22)19-23,27(3,24)25)7-9-20-8-6-12(10-15(20)21)13-4-5-14(26-2)18-11-13/h4-6,8,10-11,23H,7,9H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyANBKKJCWFOAXEZ-QGZVFWFLSA-N
XLogP0.62
TPSA127.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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 (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (CID 57326895) is (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is COc1ccc(-c2ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cn1.
What is the InChIKey of (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is ANBKKJCWFOAXEZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3O6S/c1-17(16(22)19-23,27(3,24)25)7-9-20-8-6-12(10-15(20)21)13-4-5-14(26-2)18-11-13/h4-6,8,10-11,23H,7,9H2,1-3H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 395.44 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 57326895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).