ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate

C22H20N2O4 — CID 156598657

IUPACethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(NC(=O)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H20N2O4/c1-3-28-22(27)17-14(2)23-21(26)19(18(17)15-10-6-4-7-11-15)24-20(25)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXPAGXGWMZFPZMA-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.78
Rot. Bonds5

About ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate

ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate (PubChem CID 156598657) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
PubChem CID156598657
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Nameethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(NC(=O)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H20N2O4/c1-3-28-22(27)17-14(2)23-21(26)19(18(17)15-10-6-4-7-11-15)24-20(25)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXPAGXGWMZFPZMA-UHFFFAOYSA-N
XLogP3.78
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate
CID 126122147
ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 1035315
ethyl 5-formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate;5-formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid
CID 161241364
ethyl 5-acetyl-2-benzamido-4-phenylthiophene-3-carboxylate
CID 1118697
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 5-methyl-2-[(4-methylbenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 2281503
diethyl 3-benzamido-6-methylbenzene-1,2-dicarboxylate
CID 86070957
4-[(3-ethoxycarbonyl-5-ethyl-4-phenylthiophen-2-yl)carbamoyl]benzoic acid
CID 2921723
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 4-benzoyl-3,5-diphenyl-1H-pyrrole-2-carboxylate
CID 146163429

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate (CID 156598657) is ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)[nH]c(=O)c(NC(=O)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is XPAGXGWMZFPZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-3-28-22(27)17-14(2)23-21(26)19(18(17)15-10-6-4-7-11-15)24-20(25)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate?
ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 156598657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).