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

C16H15FN2O3 — CID 160943915

IUPAC4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C16H15FN2O3/c1-18-15(22)6-5-13(20)16-14(21)8-11(9-19-16)10-3-2-4-12(17)7-10/h2-4,7-9,21H,5-6H2,1H3,(H,18,22)
InChIKeyUXYPOBJIMRHMNA-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.30
Rot. Bonds5

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

4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide (PubChem CID 160943915) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
PubChem CID160943915
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C16H15FN2O3/c1-18-15(22)6-5-13(20)16-14(21)8-11(9-19-16)10-3-2-4-12(17)7-10/h2-4,7-9,21H,5-6H2,1H3,(H,18,22)
InChIKeyUXYPOBJIMRHMNA-UHFFFAOYSA-N
XLogP2.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
ethyl 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 157404899
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
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]butanoic acid
CID 71093055
4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 59634166
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate;2-hydroxyethylazanium
CID 140602466
5-(4-fluorophenyl)-3-hydroxy-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 135294730
4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide
CID 59637256
CID 145160317
CID 145160317

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide (CID 160943915) is 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)c1ncc(-c2cccc(F)c2)cc1O.
What is the InChIKey of 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide?
The InChIKey is UXYPOBJIMRHMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-18-15(22)6-5-13(20)16-14(21)8-11(9-19-16)10-3-2-4-12(17)7-10/h2-4,7-9,21H,5-6H2,1H3,(H,18,22).
What are the key properties of 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide?
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide has a molecular weight of 302.31 g/mol, XLogP of 2.30, 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]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 160943915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).