ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate

C14H23N3O3 — CID 62844186

IUPACethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCN(C)CCOC
InChIInChI=1S/C14H23N3O3/c1-4-20-14(18)12-6-5-7-15-13(12)16-8-9-17(2)10-11-19-3/h5-7H,4,8-11H2,1-3H3,(H,15,16)
InChIKeyQXHUDRQCBPATMM-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.25
Rot. Bonds9

About ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate

ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate (PubChem CID 62844186) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
PubChem CID62844186
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCN(C)CCOC
InChIInChI=1S/C14H23N3O3/c1-4-20-14(18)12-6-5-7-15-13(12)16-8-9-17(2)10-11-19-3/h5-7H,4,8-11H2,1-3H3,(H,15,16)
InChIKeyQXHUDRQCBPATMM-UHFFFAOYSA-N
XLogP1.25
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 55098006
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate
CID 83178869
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
CID 113414922
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate (CID 62844186) is ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCCN(C)CCOC.
What is the InChIKey of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate?
The InChIKey is QXHUDRQCBPATMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-20-14(18)12-6-5-7-15-13(12)16-8-9-17(2)10-11-19-3/h5-7H,4,8-11H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate?
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 62844186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).