ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate

C22H19FN2O4 — CID 110382712

IUPACethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C22H19FN2O4/c1-2-29-22(28)18-8-3-4-9-19(18)24-21(27)16-10-11-20(26)25(14-16)13-15-6-5-7-17(23)12-15/h3-12,14H,2,13H2,1H3,(H,24,27)
InChIKeyYKAQEQWNGGNUEK-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.46
Rot. Bonds6

About ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate

ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 110382712) has the molecular formula C22H19FN2O4 and a molecular weight of 394.40 g/mol. Its IUPAC name is ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID110382712
Molecular FormulaC22H19FN2O4
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Nameethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C22H19FN2O4/c1-2-29-22(28)18-8-3-4-9-19(18)24-21(27)16-10-11-20(26)25(14-16)13-15-6-5-7-17(23)12-15/h3-12,14H,2,13H2,1H3,(H,24,27)
InChIKeyYKAQEQWNGGNUEK-UHFFFAOYSA-N
XLogP3.46
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671048
ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
CID 110693143
1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8671106
1-[(3-fluorophenyl)methyl]-N-(2-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671056
N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383054
1-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671064
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8671117
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
N-(2,4-difluorophenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671220
ethyl 1-[(3-fluorophenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421652
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate (CID 110382712) is ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1.
What is the InChIKey of ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is YKAQEQWNGGNUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4/c1-2-29-22(28)18-8-3-4-9-19(18)24-21(27)16-10-11-20(26)25(14-16)13-15-6-5-7-17(23)12-15/h3-12,14H,2,13H2,1H3,(H,24,27).
What are the key properties of ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate?
ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate has a molecular weight of 394.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 110382712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).