ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate

C16H16N2O4 — CID 167473354

IUPACethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(-c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C16H16N2O4/c1-3-22-16(21)12-7-8-15(20)18(10-12)14-6-4-5-13(9-14)17-11(2)19/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyPLOITMQYMHAPDI-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.97
Rot. Bonds4

About ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate

ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate (PubChem CID 167473354) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate
PubChem CID167473354
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nameethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(-c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C16H16N2O4/c1-3-22-16(21)12-7-8-15(20)18(10-12)14-6-4-5-13(9-14)17-11(2)19/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyPLOITMQYMHAPDI-UHFFFAOYSA-N
XLogP1.97
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate
CID 11278480
ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate
CID 167473466
ethyl 3-acetamidobenzoate
CID 700589
ethyl 6-oxo-1-[3-(2H-triazol-4-yl)phenyl]pyridine-3-carboxylate
CID 167473451
ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
CID 11499855
N-[3-[5-(2-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016631
ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
CID 109009936
N-[3-[5-(4-cyanophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 44544152
N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016352
ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24530050
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate (CID 167473354) is ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate is CCOC(=O)c1ccc(=O)n(-c2cccc(NC(C)=O)c2)c1.
What is the InChIKey of ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is PLOITMQYMHAPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-22-16(21)12-7-8-15(20)18(10-12)14-6-4-5-13(9-14)17-11(2)19/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate?
ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 167473354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).