2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine

C12H13N3O — CID 80640422

IUPAC2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
SMILESNCCc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C12H13N3O/c13-6-5-10-3-4-12(15-8-10)16-11-2-1-7-14-9-11/h1-4,7-9H,5-6,13H2
InChIKeyNZZSPSZEEQQFLJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.77
Rot. Bonds4

About 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine

2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine (PubChem CID 80640422) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
PubChem CID80640422
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
SMILESNCCc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C12H13N3O/c13-6-5-10-3-4-12(15-8-10)16-11-2-1-7-14-9-11/h1-4,7-9H,5-6,13H2
InChIKeyNZZSPSZEEQQFLJ-UHFFFAOYSA-N
XLogP1.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine (CID 80640422) is 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine is NCCc1ccc(Oc2cccnc2)nc1.
What is the InChIKey of 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine?
The InChIKey is NZZSPSZEEQQFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-6-5-10-3-4-12(15-8-10)16-11-2-1-7-14-9-11/h1-4,7-9H,5-6,13H2.
What are the key properties of 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine?
2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine has a molecular weight of 215.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 80640422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).