methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate

C21H17FN2O5 — CID 7189982

IUPACmethyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccn(OCc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H17FN2O5/c1-28-21(27)16-5-2-3-7-18(16)23-19(25)17-6-4-12-24(20(17)26)29-13-14-8-10-15(22)11-9-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyDRABGMVOPWRLDN-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.66
Rot. Bonds6

About methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate

methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 7189982) has the molecular formula C21H17FN2O5 and a molecular weight of 396.37 g/mol. Its IUPAC name is methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID7189982
Molecular FormulaC21H17FN2O5
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Namemethyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccn(OCc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H17FN2O5/c1-28-21(27)16-5-2-3-7-18(16)23-19(25)17-6-4-12-24(20(17)26)29-13-14-8-10-15(22)11-9-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyDRABGMVOPWRLDN-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-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382409
1-[(4-ethylphenyl)methoxy]-N-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 110382876
1-[(4-fluorophenyl)methoxy]-N-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 6710602
2-oxo-1-phenylmethoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110383144
N-(2-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382870
N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110383139
1-[(4-methylphenyl)methoxy]-2-oxo-N-phenylpyridine-3-carboxamide
CID 110383127
methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382411
methyl 2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692910
N-(2-cyanophenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382865
N-(2-acetylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382398
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate (CID 7189982) is methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccn(OCc2ccc(F)cc2)c1=O.
What is the InChIKey of methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is DRABGMVOPWRLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O5/c1-28-21(27)16-5-2-3-7-18(16)23-19(25)17-6-4-12-24(20(17)26)29-13-14-8-10-15(22)11-9-14/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
methyl 2-[[1-[(4-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-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 7189982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).