4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C17H20FN3O4S — CID 90684326

IUPAC4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(N)nc2)c(F)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H20FN3O4S/c1-17(16(22)21-23,26(2,24)25)8-7-11-3-5-13(14(18)9-11)12-4-6-15(19)20-10-12/h3-6,9-10,23H,7-8H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyDJJVDNVCIMRWGT-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.71
Rot. Bonds6

About 4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684326) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684326
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(N)nc2)c(F)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H20FN3O4S/c1-17(16(22)21-23,26(2,24)25)8-7-11-3-5-13(14(18)9-11)12-4-6-15(19)20-10-12/h3-6,9-10,23H,7-8H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyDJJVDNVCIMRWGT-UHFFFAOYSA-N
XLogP1.71
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684326) is 4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccc(N)nc2)c(F)c1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is DJJVDNVCIMRWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-17(16(22)21-23,26(2,24)25)8-7-11-3-5-13(14(18)9-11)12-4-6-15(19)20-10-12/h3-6,9-10,23H,7-8H2,1-2H3,(H2,19,20)(H,21,22).
What are the key properties of 4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 381.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).