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

C21H17FN2O4 — CID 7597576

IUPACmethyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C21H17FN2O4/c1-28-21(27)15-7-9-17(10-8-15)23-19(25)18-6-3-11-24(20(18)26)13-14-4-2-5-16(22)12-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyFIQSFAIETJXVDE-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.07
Rot. Bonds5

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

methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 7597576) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID7597576
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Namemethyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C21H17FN2O4/c1-28-21(27)15-7-9-17(10-8-15)23-19(25)18-6-3-11-24(20(18)26)13-14-4-2-5-16(22)12-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyFIQSFAIETJXVDE-UHFFFAOYSA-N
XLogP3.07
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597581
methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382411
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
methyl 4-[[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]amino]benzoate
CID 22050988
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859552
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
CID 30859558
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
N-(4-acetamidophenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843705
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (CID 7597576) is methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1.
What is the InChIKey of methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is FIQSFAIETJXVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c1-28-21(27)15-7-9-17(10-8-15)23-19(25)18-6-3-11-24(20(18)26)13-14-4-2-5-16(22)12-14/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate has a molecular weight of 380.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 7597576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).