ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate

C12H18N2O3 — CID 61145395

IUPACethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(CC)CCO)nc1
InChIInChI=1S/C12H18N2O3/c1-3-14(7-8-15)11-6-5-10(9-13-11)12(16)17-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyZKORZBAGISPETM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.08
Rot. Bonds6

About ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate

ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate (PubChem CID 61145395) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
PubChem CID61145395
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(CC)CCO)nc1
InChIInChI=1S/C12H18N2O3/c1-3-14(7-8-15)11-6-5-10(9-13-11)12(16)17-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyZKORZBAGISPETM-UHFFFAOYSA-N
XLogP1.08
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
CID 61425576
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
CID 54898866
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate
CID 121206161
(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate
CID 86777162
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
CID 71344599
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 145219375
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560
ethyl 6-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 55173955

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate (CID 61145395) is ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(N(CC)CCO)nc1.
What is the InChIKey of ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate?
The InChIKey is ZKORZBAGISPETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-14(7-8-15)11-6-5-10(9-13-11)12(16)17-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate?
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 61145395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).