3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride

C15H15ClF3N3O3 — CID 122516830

IUPAC3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride
SMILESCONC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.Cl
InChIInChI=1S/C15H14F3N3O3.ClH/c1-23-21-14(22)10-3-2-4-11(7-10)24-13-6-9(8-19)5-12(20-13)15(16,17)18;/h2-7H,8,19H2,1H3,(H,21,22);1H
InChIKeyWXPXQXSQXZMFHV-UHFFFAOYSA-N
MW377.75 g/mol
LogP3.06
Rot. Bonds5

About 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride

3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride (PubChem CID 122516830) has the molecular formula C15H15ClF3N3O3 and a molecular weight of 377.75 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride
PubChem CID122516830
Molecular FormulaC15H15ClF3N3O3
Molecular Weight377.75 g/mol
Exact Mass377.08
IUPAC Name3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride
SMILESCONC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.Cl
InChIInChI=1S/C15H14F3N3O3.ClH/c1-23-21-14(22)10-3-2-4-11(7-10)24-13-6-9(8-19)5-12(20-13)15(16,17)18;/h2-7H,8,19H2,1H3,(H,21,22);1H
InChIKeyWXPXQXSQXZMFHV-UHFFFAOYSA-N
XLogP3.06
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride?
The IUPAC name of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride (CID 122516830) is 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride.
What is the SMILES notation for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride?
The canonical SMILES for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride is CONC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.Cl.
What is the InChIKey of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride?
The InChIKey is WXPXQXSQXZMFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3.ClH/c1-23-21-14(22)10-3-2-4-11(7-10)24-13-6-9(8-19)5-12(20-13)15(16,17)18;/h2-7H,8,19H2,1H3,(H,21,22);1H.
What are the key properties of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride?
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride has a molecular weight of 377.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-methoxybenzamide;hydrochloride is sourced from PubChem (CID 122516830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).