3-ethoxy-N-pyridin-2-ylpyridin-2-amine

C12H13N3O — CID 11321863

IUPAC3-ethoxy-N-pyridin-2-ylpyridin-2-amine
SMILESCCOc1cccnc1Nc1ccccn1
InChIInChI=1S/C12H13N3O/c1-2-16-10-6-5-9-14-12(10)15-11-7-3-4-8-13-11/h3-9H,2H2,1H3,(H,13,14,15)
InChIKeyQXDACVHUAQTTKS-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.62
Rot. Bonds4

About 3-ethoxy-N-pyridin-2-ylpyridin-2-amine

3-ethoxy-N-pyridin-2-ylpyridin-2-amine (PubChem CID 11321863) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-ethoxy-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-pyridin-2-ylpyridin-2-amine
PubChem CID11321863
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-ethoxy-N-pyridin-2-ylpyridin-2-amine
SMILESCCOc1cccnc1Nc1ccccn1
InChIInChI=1S/C12H13N3O/c1-2-16-10-6-5-9-14-12(10)15-11-7-3-4-8-13-11/h3-9H,2H2,1H3,(H,13,14,15)
InChIKeyQXDACVHUAQTTKS-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 3-ethoxy-N-pyridin-2-ylpyridin-2-amine (CID 11321863) is 3-ethoxy-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 3-ethoxy-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 3-ethoxy-N-pyridin-2-ylpyridin-2-amine is CCOc1cccnc1Nc1ccccn1.
What is the InChIKey of 3-ethoxy-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is QXDACVHUAQTTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-16-10-6-5-9-14-12(10)15-11-7-3-4-8-13-11/h3-9H,2H2,1H3,(H,13,14,15).
What are the key properties of 3-ethoxy-N-pyridin-2-ylpyridin-2-amine?
3-ethoxy-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 215.26 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 11321863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).