2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide

C15H16N2O3 — CID 75509167

IUPAC2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide
SMILESCC(Oc1cccc(OCc2ccccn2)c1)C(N)=O
InChIInChI=1S/C15H16N2O3/c1-11(15(16)18)20-14-7-4-6-13(9-14)19-10-12-5-2-3-8-17-12/h2-9,11H,10H2,1H3,(H2,16,18)
InChIKeyTWAGGQJUHDQQLF-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.91
Rot. Bonds6

About 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide

2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide (PubChem CID 75509167) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide.

Molecular Properties

Compound Name2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide
PubChem CID75509167
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide
SMILESCC(Oc1cccc(OCc2ccccn2)c1)C(N)=O
InChIInChI=1S/C15H16N2O3/c1-11(15(16)18)20-14-7-4-6-13(9-14)19-10-12-5-2-3-8-17-12/h2-9,11H,10H2,1H3,(H2,16,18)
InChIKeyTWAGGQJUHDQQLF-UHFFFAOYSA-N
XLogP1.91
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide?
The IUPAC name of 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide (CID 75509167) is 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide.
What is the SMILES notation for 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide?
The canonical SMILES for 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide is CC(Oc1cccc(OCc2ccccn2)c1)C(N)=O.
What is the InChIKey of 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide?
The InChIKey is TWAGGQJUHDQQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11(15(16)18)20-14-7-4-6-13(9-14)19-10-12-5-2-3-8-17-12/h2-9,11H,10H2,1H3,(H2,16,18).
What are the key properties of 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide?
2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide has a molecular weight of 272.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide is sourced from PubChem (CID 75509167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).