ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate

C16H18N2O3 — CID 106486678

IUPACethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(CNC)cc2)nc1
InChIInChI=1S/C16H18N2O3/c1-3-20-16(19)13-6-9-15(18-11-13)21-14-7-4-12(5-8-14)10-17-2/h4-9,11,17H,3,10H2,1-2H3
InChIKeyNIPWHRSVPZLQTI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.77
Rot. Bonds6

About ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate

ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 106486678) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
PubChem CID106486678
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(CNC)cc2)nc1
InChIInChI=1S/C16H18N2O3/c1-3-20-16(19)13-6-9-15(18-11-13)21-14-7-4-12(5-8-14)10-17-2/h4-9,11,17H,3,10H2,1-2H3
InChIKeyNIPWHRSVPZLQTI-UHFFFAOYSA-N
XLogP2.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
ethyl 6-[4-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]phenoxy]pyridine-3-carboxylate
CID 118344926
ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate
CID 31535631
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
CID 70243352

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate (CID 106486678) is ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(CNC)cc2)nc1.
What is the InChIKey of ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is NIPWHRSVPZLQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-20-16(19)13-6-9-15(18-11-13)21-14-7-4-12(5-8-14)10-17-2/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate?
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 106486678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).