pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate

C24H19NO3 — CID 1223078

IUPACpyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate
SMILESO=C(OCc1ccccn1)c1ccc(COc2cccc3ccccc23)cc1
InChIInChI=1S/C24H19NO3/c26-24(28-17-21-8-3-4-15-25-21)20-13-11-18(12-14-20)16-27-23-10-5-7-19-6-1-2-9-22(19)23/h1-15H,16-17H2
InChIKeyTUBMHIOSSXFGFV-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.17
Rot. Bonds6

About pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate

pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate (PubChem CID 1223078) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate
PubChem CID1223078
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Namepyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate
SMILESO=C(OCc1ccccn1)c1ccc(COc2cccc3ccccc23)cc1
InChIInChI=1S/C24H19NO3/c26-24(28-17-21-8-3-4-15-25-21)20-13-11-18(12-14-20)16-27-23-10-5-7-19-6-1-2-9-22(19)23/h1-15H,16-17H2
InChIKeyTUBMHIOSSXFGFV-UHFFFAOYSA-N
XLogP5.17
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate 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 4-(naphthalen-1-yloxymethyl)benzoate?
The IUPAC name of pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate (CID 1223078) is pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate.
What is the SMILES notation for pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate?
The canonical SMILES for pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate is O=C(OCc1ccccn1)c1ccc(COc2cccc3ccccc23)cc1.
What is the InChIKey of pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate?
The InChIKey is TUBMHIOSSXFGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c26-24(28-17-21-8-3-4-15-25-21)20-13-11-18(12-14-20)16-27-23-10-5-7-19-6-1-2-9-22(19)23/h1-15H,16-17H2.
What are the key properties of pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate?
pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate has a molecular weight of 369.42 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 4-(naphthalen-1-yloxymethyl)benzoate is sourced from PubChem (CID 1223078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).