ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate

C17H17FN2O4 — CID 71143208

IUPACethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ncc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C17H17FN2O4/c1-3-24-17(23)10(2)20-16(22)15-14(21)8-12(9-19-15)11-4-6-13(18)7-5-11/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeyNEIQHPVOFVIJGY-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.27
Rot. Bonds5

About ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate

ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate (PubChem CID 71143208) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate
PubChem CID71143208
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Nameethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ncc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C17H17FN2O4/c1-3-24-17(23)10(2)20-16(22)15-14(21)8-12(9-19-15)11-4-6-13(18)7-5-11/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeyNEIQHPVOFVIJGY-UHFFFAOYSA-N
XLogP2.27
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate?
The IUPAC name of ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate (CID 71143208) is ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate is CCOC(=O)C(C)NC(=O)c1ncc(-c2ccc(F)cc2)cc1O.
What is the InChIKey of ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate?
The InChIKey is NEIQHPVOFVIJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-3-24-17(23)10(2)20-16(22)15-14(21)8-12(9-19-15)11-4-6-13(18)7-5-11/h4-10,21H,3H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate?
ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate has a molecular weight of 332.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 71143208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).