ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate

C17H17FN2O4 — CID 162731611

IUPACethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2cccc(F)c2)c(C)c1O
InChIInChI=1S/C17H17FN2O4/c1-3-24-14(21)9-20-17(23)15-16(22)10(2)13(8-19-15)11-5-4-6-12(18)7-11/h4-8,22H,3,9H2,1-2H3,(H,20,23)
InChIKeyUVJMEZKDQBMYSU-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.19
Rot. Bonds5

About ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate

ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate (PubChem CID 162731611) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate
PubChem CID162731611
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Nameethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2cccc(F)c2)c(C)c1O
InChIInChI=1S/C17H17FN2O4/c1-3-24-14(21)9-20-17(23)15-16(22)10(2)13(8-19-15)11-5-4-6-12(18)7-11/h4-8,22H,3,9H2,1-2H3,(H,20,23)
InChIKeyUVJMEZKDQBMYSU-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate
CID 162731512
ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 162731487
ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate
CID 162731665
ethyl 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 157404899
2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
CID 162731593
formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid
CID 175905624
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
5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid
CID 170210771
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
CID 155001310

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate (CID 162731611) is ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1ncc(-c2cccc(F)c2)c(C)c1O.
What is the InChIKey of ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate?
The InChIKey is UVJMEZKDQBMYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-3-24-14(21)9-20-17(23)15-16(22)10(2)13(8-19-15)11-5-4-6-12(18)7-11/h4-8,22H,3,9H2,1-2H3,(H,20,23).
What are the key properties of ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate?
ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate has a molecular weight of 332.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 162731611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).