ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate

C14H20N2O4 — CID 62007392

IUPACethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)CN(CC)c1ccc(C(=O)OCC)cn1
InChIInChI=1S/C14H20N2O4/c1-4-16(10-13(17)19-5-2)12-8-7-11(9-15-12)14(18)20-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyFYLLOVJPWZGQDY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.65
Rot. Bonds7

About ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate

ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate (PubChem CID 62007392) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
PubChem CID62007392
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)CN(CC)c1ccc(C(=O)OCC)cn1
InChIInChI=1S/C14H20N2O4/c1-4-16(10-13(17)19-5-2)12-8-7-11(9-15-12)14(18)20-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyFYLLOVJPWZGQDY-UHFFFAOYSA-N
XLogP1.65
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
CID 54898866
ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
CID 61425576
ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
CID 62006262
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 145219375
ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate
CID 71845196
(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate
CID 86777162
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
4-[6-(diethylamino)-3-pyridinyl]benzoic acid
CID 82123769

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate (CID 62007392) is ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate is CCOC(=O)CN(CC)c1ccc(C(=O)OCC)cn1.
What is the InChIKey of ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate?
The InChIKey is FYLLOVJPWZGQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-16(10-13(17)19-5-2)12-8-7-11(9-15-12)14(18)20-6-3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate?
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 62007392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).