diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate

C13H18N2O6 — CID 102008196

IUPACdiethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cn(NCCO)cc(C(=O)OCC)c1=O
InChIInChI=1S/C13H18N2O6/c1-3-20-12(18)9-7-15(14-5-6-16)8-10(11(9)17)13(19)21-4-2/h7-8,14,16H,3-6H2,1-2H3
InChIKeyGCYICQVGFOQIQS-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.26
Rot. Bonds7

About diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate

diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate (PubChem CID 102008196) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate
PubChem CID102008196
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Namediethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cn(NCCO)cc(C(=O)OCC)c1=O
InChIInChI=1S/C13H18N2O6/c1-3-20-12(18)9-7-15(14-5-6-16)8-10(11(9)17)13(19)21-4-2/h7-8,14,16H,3-6H2,1-2H3
InChIKeyGCYICQVGFOQIQS-UHFFFAOYSA-N
XLogP-0.26
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5,6,7-trifluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
CID 167361002
ethyl 5-[(2-hydroxyethylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630781
ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
CID 123582149
ethyl 2-(6-ethoxycarbonyl-2,3-dimethylphenyl)-3,4-dimethylbenzoate
CID 12546776
ethyl 1-ethyl-6,7,8-trifluoro-5-methyl-4-oxoquinoline-3-carboxylate
CID 14651269
ethyl 1-acetamido-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 141213468
ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
CID 10850045
diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate
CID 142563798
ethyl 5,6,7-trifluoro-4-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 167360941
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate
CID 101478665
ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655

Frequently Asked Questions

What is the IUPAC name of diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate (CID 102008196) is diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate is CCOC(=O)c1cn(NCCO)cc(C(=O)OCC)c1=O.
What is the InChIKey of diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate?
The InChIKey is GCYICQVGFOQIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-3-20-12(18)9-7-15(14-5-6-16)8-10(11(9)17)13(19)21-4-2/h7-8,14,16H,3-6H2,1-2H3.
What are the key properties of diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate?
diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate has a molecular weight of 298.30 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-(2-hydroxyethylamino)-4-oxopyridine-3,5-dicarboxylate is sourced from PubChem (CID 102008196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).