ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate

C14H22N2O4 — CID 106666343

IUPACethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(OCCC(C)(C)OC)c1N
InChIInChI=1S/C14H22N2O4/c1-5-19-13(17)10-6-8-16-12(11(10)15)20-9-7-14(2,3)18-4/h6,8H,5,7,9,15H2,1-4H3
InChIKeyJCKJQMKXOSCCPY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.03
Rot. Bonds7

About ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate

ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate (PubChem CID 106666343) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
PubChem CID106666343
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(OCCC(C)(C)OC)c1N
InChIInChI=1S/C14H22N2O4/c1-5-19-13(17)10-6-8-16-12(11(10)15)20-9-7-14(2,3)18-4/h6,8H,5,7,9,15H2,1-4H3
InChIKeyJCKJQMKXOSCCPY-UHFFFAOYSA-N
XLogP2.03
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 115942367
ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
CID 82006675
methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 112588507
(3-methoxy-3-methylbutyl) 2-amino-3-methylbenzoate
CID 102978979
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
CID 114157712
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285351
methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 104765047
ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386492
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate (CID 106666343) is ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate is CCOC(=O)c1ccnc(OCCC(C)(C)OC)c1N.
What is the InChIKey of ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate?
The InChIKey is JCKJQMKXOSCCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-19-13(17)10-6-8-16-12(11(10)15)20-9-7-14(2,3)18-4/h6,8H,5,7,9,15H2,1-4H3.
What are the key properties of ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate?
ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate is sourced from PubChem (CID 106666343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).