diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate

C18H19NO6 — CID 129086322

IUPACdiethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1[nH]cc(C(=O)OCC)c(=O)c1OCc1ccccc1
InChIInChI=1S/C18H19NO6/c1-3-23-17(21)13-10-19-14(18(22)24-4-2)16(15(13)20)25-11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyRMWGBZRMKOUBSA-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.31
Rot. Bonds7

About diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate

diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate (PubChem CID 129086322) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
PubChem CID129086322
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Namediethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1[nH]cc(C(=O)OCC)c(=O)c1OCc1ccccc1
InChIInChI=1S/C18H19NO6/c1-3-23-17(21)13-10-19-14(18(22)24-4-2)16(15(13)20)25-11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyRMWGBZRMKOUBSA-UHFFFAOYSA-N
XLogP2.31
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
CID 10382679
ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
CID 561266
ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
CID 19914495
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568
5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
CID 129129992
diethyl 4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2,5-dicarboxylate
CID 129129880
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 69373567
ethyl 3-amino-4-[(2-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate
CID 59794315
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 88863108
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570

Frequently Asked Questions

What is the IUPAC name of diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate?
The IUPAC name of diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate (CID 129086322) is diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate?
The canonical SMILES for diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate is CCOC(=O)c1[nH]cc(C(=O)OCC)c(=O)c1OCc1ccccc1.
What is the InChIKey of diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate?
The InChIKey is RMWGBZRMKOUBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-3-23-17(21)13-10-19-14(18(22)24-4-2)16(15(13)20)25-11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,19,20).
What are the key properties of diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate?
diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate has a molecular weight of 345.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate is sourced from PubChem (CID 129086322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).