methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate

C21H17FN2O5 — CID 110382409

IUPACmethyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccn(OCc2cccc(F)c2)c1=O
InChIInChI=1S/C21H17FN2O5/c1-28-21(27)16-8-2-3-10-18(16)23-19(25)17-9-5-11-24(20(17)26)29-13-14-6-4-7-15(22)12-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyUZEFJFWFGFECQK-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.66
Rot. Bonds6

About methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate

methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 110382409) has the molecular formula C21H17FN2O5 and a molecular weight of 396.37 g/mol. Its IUPAC name is methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID110382409
Molecular FormulaC21H17FN2O5
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Namemethyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccn(OCc2cccc(F)c2)c1=O
InChIInChI=1S/C21H17FN2O5/c1-28-21(27)16-8-2-3-10-18(16)23-19(25)17-9-5-11-24(20(17)26)29-13-14-6-4-7-15(22)12-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyUZEFJFWFGFECQK-UHFFFAOYSA-N
XLogP2.66
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7189982
methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382411
N-(2-acetylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382398
N-(2-acetylphenyl)-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382768
1-[(4-ethylphenyl)methoxy]-N-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 110382876
2-oxo-1-phenylmethoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110383144
N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110383139
N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382464
N-(2-carbamoylphenyl)-1-[(3-chlorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382847
N-(2,3-dimethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382730
N-(2-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382870
N-(2-ethoxyphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382396

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate (CID 110382409) is methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccn(OCc2cccc(F)c2)c1=O.
What is the InChIKey of methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is UZEFJFWFGFECQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O5/c1-28-21(27)16-8-2-3-10-18(16)23-19(25)17-9-5-11-24(20(17)26)29-13-14-6-4-7-15(22)12-14/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate has a molecular weight of 396.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 110382409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).