methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate

C12H16N2O3 — CID 106203427

IUPACmethyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OCCC2CC2)ncc1N
InChIInChI=1S/C12H16N2O3/c1-16-12(15)9-6-11(14-7-10(9)13)17-5-4-8-2-3-8/h6-8H,2-5,13H2,1H3
InChIKeyGJDWWULIVOEMRM-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.63
Rot. Bonds5

About methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate

methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate (PubChem CID 106203427) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate
PubChem CID106203427
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OCCC2CC2)ncc1N
InChIInChI=1S/C12H16N2O3/c1-16-12(15)9-6-11(14-7-10(9)13)17-5-4-8-2-3-8/h6-8H,2-5,13H2,1H3
InChIKeyGJDWWULIVOEMRM-UHFFFAOYSA-N
XLogP1.63
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate
CID 159122898
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
CID 106014285
methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
CID 114157712
methyl 5-amino-3-chloro-2-(2-cyclobutylethoxy)benzoate
CID 106203449
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
CID 114090241
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate
CID 114090049
methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate
CID 114090703
methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
CID 114131931
methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate
CID 114090370

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate (CID 106203427) is methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate is COC(=O)c1cc(OCCC2CC2)ncc1N.
What is the InChIKey of methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate?
The InChIKey is GJDWWULIVOEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-12(15)9-6-11(14-7-10(9)13)17-5-4-8-2-3-8/h6-8H,2-5,13H2,1H3.
What are the key properties of methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate?
methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 106203427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).