ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C22H19FN2O4 — CID 156598660

IUPACethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(NC(=O)c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O4/c1-3-29-22(28)17-13(2)24-21(27)19(18(17)14-9-11-16(23)12-10-14)25-20(26)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyGXLVSBFXRODGSU-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.92
Rot. Bonds5

About ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 156598660) has the molecular formula C22H19FN2O4 and a molecular weight of 394.40 g/mol. Its IUPAC name is ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID156598660
Molecular FormulaC22H19FN2O4
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Nameethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(NC(=O)c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O4/c1-3-29-22(28)17-13(2)24-21(27)19(18(17)14-9-11-16(23)12-10-14)25-20(26)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyGXLVSBFXRODGSU-UHFFFAOYSA-N
XLogP3.92
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 156598660) is ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)[nH]c(=O)c(NC(=O)c2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is GXLVSBFXRODGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4/c1-3-29-22(28)17-13(2)24-21(27)19(18(17)14-9-11-16(23)12-10-14)25-20(26)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 394.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamido-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 156598660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).