2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol

C13H21N3O2 — CID 114796899

IUPAC2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESCCOc1nc(N2CCC(CCO)C2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-2-18-13-11(14)3-4-12(15-13)16-7-5-10(9-16)6-8-17/h3-4,10,17H,2,5-9,14H2,1H3
InChIKeyLTHQIULQXGLWOM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.27
Rot. Bonds5

About 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol

2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol (PubChem CID 114796899) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
PubChem CID114796899
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESCCOc1nc(N2CCC(CCO)C2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-2-18-13-11(14)3-4-12(15-13)16-7-5-10(9-16)6-8-17/h3-4,10,17H,2,5-9,14H2,1H3
InChIKeyLTHQIULQXGLWOM-UHFFFAOYSA-N
XLogP1.27
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-amino-6-ethoxy-2-pyridinyl)piperidin-3-yl]methanol
CID 43590236
1-(5-amino-6-ethoxy-2-pyridinyl)piperidin-4-ol
CID 43260641
2-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)pyridin-3-amine
CID 63609974
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol
CID 81097388
[4-(5-amino-6-ethoxy-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102931951
2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796912
2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine
CID 54975204
6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine
CID 43581401
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]-4-methylpiperidin-3-ol
CID 102955460
2-ethoxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridin-3-amine
CID 102742804

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol (CID 114796899) is 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol is CCOc1nc(N2CCC(CCO)C2)ccc1N.
What is the InChIKey of 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The InChIKey is LTHQIULQXGLWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-18-13-11(14)3-4-12(15-13)16-7-5-10(9-16)6-8-17/h3-4,10,17H,2,5-9,14H2,1H3.
What are the key properties of 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol?
2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114796899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).