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

C20H20ClN3O3 — CID 122516255

IUPAC3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2cccc(Oc3cc(CN)ccn3)c2)cc1.Cl
InChIInChI=1S/C20H19N3O3.ClH/c1-25-17-7-5-16(6-8-17)23-20(24)15-3-2-4-18(12-15)26-19-11-14(13-21)9-10-22-19;/h2-12H,13,21H2,1H3,(H,23,24);1H
InChIKeyBGTKGPGTVXXSCS-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.02
Rot. Bonds6

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

3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride (PubChem CID 122516255) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride
PubChem CID122516255
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2cccc(Oc3cc(CN)ccn3)c2)cc1.Cl
InChIInChI=1S/C20H19N3O3.ClH/c1-25-17-7-5-16(6-8-17)23-20(24)15-3-2-4-18(12-15)26-19-11-14(13-21)9-10-22-19;/h2-12H,13,21H2,1H3,(H,23,24);1H
InChIKeyBGTKGPGTVXXSCS-UHFFFAOYSA-N
XLogP4.02
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride?
The IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride (CID 122516255) is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride?
The canonical SMILES for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride is COc1ccc(NC(=O)c2cccc(Oc3cc(CN)ccn3)c2)cc1.Cl.
What is the InChIKey of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride?
The InChIKey is BGTKGPGTVXXSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.ClH/c1-25-17-7-5-16(6-8-17)23-20(24)15-3-2-4-18(12-15)26-19-11-14(13-21)9-10-22-19;/h2-12H,13,21H2,1H3,(H,23,24);1H.
What are the key properties of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride?
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride has a molecular weight of 385.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(4-methoxyphenyl)benzamide;hydrochloride is sourced from PubChem (CID 122516255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).