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

C12H19N3O2 — CID 22598779

IUPAC[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESCCOc1nc(N2CCCC2CO)ccc1N
InChIInChI=1S/C12H19N3O2/c1-2-17-12-10(13)5-6-11(14-12)15-7-3-4-9(15)8-16/h5-6,9,16H,2-4,7-8,13H2,1H3
InChIKeyIDVBUXKTOYQNCY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.02
Rot. Bonds4

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

[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol (PubChem CID 22598779) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
PubChem CID22598779
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESCCOc1nc(N2CCCC2CO)ccc1N
InChIInChI=1S/C12H19N3O2/c1-2-17-12-10(13)5-6-11(14-12)15-7-3-4-9(15)8-16/h5-6,9,16H,2-4,7-8,13H2,1H3
InChIKeyIDVBUXKTOYQNCY-UHFFFAOYSA-N
XLogP1.02
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol (CID 22598779) is [1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol is CCOc1nc(N2CCCC2CO)ccc1N.
What is the InChIKey of [1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol?
The InChIKey is IDVBUXKTOYQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-12-10(13)5-6-11(14-12)15-7-3-4-9(15)8-16/h5-6,9,16H,2-4,7-8,13H2,1H3.
What are the key properties of [1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol?
[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 22598779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).