1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol

C12H19N3O4 — CID 22598739

IUPAC1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESNc1ccc(N2CC(O)CC2CO)nc1OCCO
InChIInChI=1S/C12H19N3O4/c13-10-1-2-11(14-12(10)19-4-3-16)15-6-9(18)5-8(15)7-17/h1-2,8-9,16-18H,3-7,13H2
InChIKeyFEWBYSKDTCGNTL-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.03
Rot. Bonds5

About 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol

1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 22598739) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID22598739
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESNc1ccc(N2CC(O)CC2CO)nc1OCCO
InChIInChI=1S/C12H19N3O4/c13-10-1-2-11(14-12(10)19-4-3-16)15-6-9(18)5-8(15)7-17/h1-2,8-9,16-18H,3-7,13H2
InChIKeyFEWBYSKDTCGNTL-UHFFFAOYSA-N
XLogP-1.03
TPSA112.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol (CID 22598739) is 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol is Nc1ccc(N2CC(O)CC2CO)nc1OCCO.
What is the InChIKey of 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is FEWBYSKDTCGNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c13-10-1-2-11(14-12(10)19-4-3-16)15-6-9(18)5-8(15)7-17/h1-2,8-9,16-18H,3-7,13H2.
What are the key properties of 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 269.30 g/mol, XLogP of -1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 22598739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).