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

C13H20N2O3 — CID 61425576

IUPACethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
SMILESCCCN(CCO)c1ccc(C(=O)OCC)cn1
InChIInChI=1S/C13H20N2O3/c1-3-7-15(8-9-16)12-6-5-11(10-14-12)13(17)18-4-2/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyRTUFMRJVFMMPER-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.47
Rot. Bonds7

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

ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate (PubChem CID 61425576) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
PubChem CID61425576
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
SMILESCCCN(CCO)c1ccc(C(=O)OCC)cn1
InChIInChI=1S/C13H20N2O3/c1-3-7-15(8-9-16)12-6-5-11(10-14-12)13(17)18-4-2/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyRTUFMRJVFMMPER-UHFFFAOYSA-N
XLogP1.47
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
CID 102546645
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
(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 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 145219375
ethyl 4-[[4-(dipropylamino)pyrimidin-2-yl]amino]benzoate
CID 112901242
2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol
CID 61425083
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate
CID 121206161
6-(dipropylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109161818
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate (CID 61425576) is ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate is CCCN(CCO)c1ccc(C(=O)OCC)cn1.
What is the InChIKey of ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate?
The InChIKey is RTUFMRJVFMMPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-7-15(8-9-16)12-6-5-11(10-14-12)13(17)18-4-2/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate?
ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 61425576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).