pyridin-2-ylmethyl 3-phenylpropanoate

C15H15NO2 — CID 11447849

IUPACpyridin-2-ylmethyl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OCc1ccccn1
InChIInChI=1S/C15H15NO2/c17-15(10-9-13-6-2-1-3-7-13)18-12-14-8-4-5-11-16-14/h1-8,11H,9-10,12H2
InChIKeyAAECLAIRIMJPEZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.76
Rot. Bonds5

About pyridin-2-ylmethyl 3-phenylpropanoate

pyridin-2-ylmethyl 3-phenylpropanoate (PubChem CID 11447849) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3-phenylpropanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3-phenylpropanoate
PubChem CID11447849
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namepyridin-2-ylmethyl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OCc1ccccn1
InChIInChI=1S/C15H15NO2/c17-15(10-9-13-6-2-1-3-7-13)18-12-14-8-4-5-11-16-14/h1-8,11H,9-10,12H2
InChIKeyAAECLAIRIMJPEZ-UHFFFAOYSA-N
XLogP2.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyridin-2-ylmethyl 3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3-phenylpropanoate?
The IUPAC name of pyridin-2-ylmethyl 3-phenylpropanoate (CID 11447849) is pyridin-2-ylmethyl 3-phenylpropanoate.
What is the SMILES notation for pyridin-2-ylmethyl 3-phenylpropanoate?
The canonical SMILES for pyridin-2-ylmethyl 3-phenylpropanoate is O=C(CCc1ccccc1)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 3-phenylpropanoate?
The InChIKey is AAECLAIRIMJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(10-9-13-6-2-1-3-7-13)18-12-14-8-4-5-11-16-14/h1-8,11H,9-10,12H2.
What are the key properties of pyridin-2-ylmethyl 3-phenylpropanoate?
pyridin-2-ylmethyl 3-phenylpropanoate has a molecular weight of 241.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3-phenylpropanoate is sourced from PubChem (CID 11447849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).