diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate

C13H18N2O4 — CID 162343069

IUPACdiethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate
SMILESCCOC(=O)c1cc(CC)nc(N)c1C(=O)OCC
InChIInChI=1S/C13H18N2O4/c1-4-8-7-9(12(16)18-5-2)10(11(14)15-8)13(17)19-6-3/h7H,4-6H2,1-3H3,(H2,14,15)
InChIKeySIQQRLBQUUWRLJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.58
Rot. Bonds5

About diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate

diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate (PubChem CID 162343069) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate
PubChem CID162343069
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namediethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate
SMILESCCOC(=O)c1cc(CC)nc(N)c1C(=O)OCC
InChIInChI=1S/C13H18N2O4/c1-4-8-7-9(12(16)18-5-2)10(11(14)15-8)13(17)19-6-3/h7H,4-6H2,1-3H3,(H2,14,15)
InChIKeySIQQRLBQUUWRLJ-UHFFFAOYSA-N
XLogP1.58
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675365
ethyl 2-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134677189
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
diethyl 3,5-dibromobenzene-1,2-dicarboxylate
CID 139811983
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2,4,6-triethylbenzoate
CID 12702183
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
diethyl 3,4-dimethylbenzene-1,2-dicarboxylate
CID 66647906

Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate?
The IUPAC name of diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate (CID 162343069) is diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate is CCOC(=O)c1cc(CC)nc(N)c1C(=O)OCC.
What is the InChIKey of diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate?
The InChIKey is SIQQRLBQUUWRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-8-7-9(12(16)18-5-2)10(11(14)15-8)13(17)19-6-3/h7H,4-6H2,1-3H3,(H2,14,15).
What are the key properties of diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate?
diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate is sourced from PubChem (CID 162343069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).