1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol

C11H17N3O2 — CID 22598676

IUPAC1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCCOc1nc(N2CCC(O)C2)ccc1N
InChIInChI=1S/C11H17N3O2/c1-2-16-11-9(12)3-4-10(13-11)14-6-5-8(15)7-14/h3-4,8,15H,2,5-7,12H2,1H3
InChIKeyNNUFELAGCZWXPF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds3

About 1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol

1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 22598676) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol
PubChem CID22598676
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCCOc1nc(N2CCC(O)C2)ccc1N
InChIInChI=1S/C11H17N3O2/c1-2-16-11-9(12)3-4-10(13-11)14-6-5-8(15)7-14/h3-4,8,15H,2,5-7,12H2,1H3
InChIKeyNNUFELAGCZWXPF-UHFFFAOYSA-N
XLogP0.63
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.63
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-3-ol?
The IUPAC name of 1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol (CID 22598676) is 1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol is CCOc1nc(N2CCC(O)C2)ccc1N.
What is the InChIKey of 1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is NNUFELAGCZWXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-11-9(12)3-4-10(13-11)14-6-5-8(15)7-14/h3-4,8,15H,2,5-7,12H2,1H3.
What are the key properties of 1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol?
1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 223.28 g/mol, XLogP of 0.63, 3 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-3-ol is sourced from PubChem (CID 22598676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).