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

C19H18ClN3O2 — CID 122516295

IUPAC3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride
SMILESCl.NCc1ccnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C19H17N3O2.ClH/c20-13-14-9-10-21-18(11-14)24-17-8-4-5-15(12-17)19(23)22-16-6-2-1-3-7-16;/h1-12H,13,20H2,(H,22,23);1H
InChIKeyXRJBHVFXDQUQJP-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.01
Rot. Bonds5

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

3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride (PubChem CID 122516295) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride
PubChem CID122516295
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride
SMILESCl.NCc1ccnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C19H17N3O2.ClH/c20-13-14-9-10-21-18(11-14)24-17-8-4-5-15(12-17)19(23)22-16-6-2-1-3-7-16;/h1-12H,13,20H2,(H,22,23);1H
InChIKeyXRJBHVFXDQUQJP-UHFFFAOYSA-N
XLogP4.01
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride?
The IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride (CID 122516295) is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride?
The canonical SMILES for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride is Cl.NCc1ccnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride?
The InChIKey is XRJBHVFXDQUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.ClH/c20-13-14-9-10-21-18(11-14)24-17-8-4-5-15(12-17)19(23)22-16-6-2-1-3-7-16;/h1-12H,13,20H2,(H,22,23);1H.
What are the key properties of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride?
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide;hydrochloride has a molecular weight of 355.83 g/mol, XLogP of 4.01, 5 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-phenylbenzamide;hydrochloride is sourced from PubChem (CID 122516295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).