4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide

C15H13FN2O3 — CID 158403612

IUPAC4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)c1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C15H13FN2O3/c16-11-3-1-2-9(6-11)10-7-13(20)15(18-8-10)12(19)4-5-14(17)21/h1-3,6-8,20H,4-5H2,(H2,17,21)
InChIKeyGYKFNPQYAJIJMK-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.04
Rot. Bonds5

About 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide

4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide (PubChem CID 158403612) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
PubChem CID158403612
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)c1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C15H13FN2O3/c16-11-3-1-2-9(6-11)10-7-13(20)15(18-8-10)12(19)4-5-14(17)21/h1-3,6-8,20H,4-5H2,(H2,17,21)
InChIKeyGYKFNPQYAJIJMK-UHFFFAOYSA-N
XLogP2.04
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 157404899
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 59634166
1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione
CID 148501489
potassium 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 71491831
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118266893
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate;2-hydroxyethylazanium
CID 140602466
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
CID 71093055
CID 145160317
CID 145160317
N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
CID 172856144
4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,N-dimethyl-4-oxobutanamide;4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 161264557

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide?
The IUPAC name of 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide (CID 158403612) is 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide?
The canonical SMILES for 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide is NC(=O)CCC(=O)c1ncc(-c2cccc(F)c2)cc1O.
What is the InChIKey of 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide?
The InChIKey is GYKFNPQYAJIJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-11-3-1-2-9(6-11)10-7-13(20)15(18-8-10)12(19)4-5-14(17)21/h1-3,6-8,20H,4-5H2,(H2,17,21).
What are the key properties of 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide?
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide has a molecular weight of 288.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide is sourced from PubChem (CID 158403612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).