3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride

C20H20ClN3O2 — CID 122516211

IUPAC3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride
SMILESCl.NCc1ccnc(Oc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C20H19N3O2.ClH/c21-13-16-9-10-22-19(11-16)25-18-8-4-7-17(12-18)20(24)23-14-15-5-2-1-3-6-15;/h1-12H,13-14,21H2,(H,23,24);1H
InChIKeyNUXWUXXXTZFTHA-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.68
Rot. Bonds6

About 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride

3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride (PubChem CID 122516211) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride
PubChem CID122516211
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride
SMILESCl.NCc1ccnc(Oc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C20H19N3O2.ClH/c21-13-16-9-10-22-19(11-16)25-18-8-4-7-17(12-18)20(24)23-14-15-5-2-1-3-6-15;/h1-12H,13-14,21H2,(H,23,24);1H
InChIKeyNUXWUXXXTZFTHA-UHFFFAOYSA-N
XLogP3.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride 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 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride?
The IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride (CID 122516211) is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride?
The canonical SMILES for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride is Cl.NCc1ccnc(Oc2cccc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride?
The InChIKey is NUXWUXXXTZFTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2.ClH/c21-13-16-9-10-22-19(11-16)25-18-8-4-7-17(12-18)20(24)23-14-15-5-2-1-3-6-15;/h1-12H,13-14,21H2,(H,23,24);1H.
What are the key properties of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride?
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-benzylbenzamide;hydrochloride is sourced from PubChem (CID 122516211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).