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

C16H20ClN3O3 — CID 122516346

IUPAC4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(Oc2cc(CN)ccn2)cc1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-9-8-19-16(20)13-2-4-14(5-3-13)22-15-10-12(11-17)6-7-18-15;/h2-7,10H,8-9,11,17H2,1H3,(H,19,20);1H
InChIKeyZATZVTTXJMOLGE-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.13
Rot. Bonds7

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

4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride (PubChem CID 122516346) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride
PubChem CID122516346
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(Oc2cc(CN)ccn2)cc1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-9-8-19-16(20)13-2-4-14(5-3-13)22-15-10-12(11-17)6-7-18-15;/h2-7,10H,8-9,11,17H2,1H3,(H,19,20);1H
InChIKeyZATZVTTXJMOLGE-UHFFFAOYSA-N
XLogP2.13
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 10457387
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CID 44434951
N-(3-(ethylcarbamoyl) benzyl)-6H-isochromeno [3,4-c] pyridine-8-carboxamide
CID 129159093
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
Ave-0118
CID 9811357
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
Vpc32183
CID 44392752
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
VU0404251
CID 58368068

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride?
The IUPAC name of 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride (CID 122516346) is 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride is COCCNC(=O)c1ccc(Oc2cc(CN)ccn2)cc1.Cl.
What is the InChIKey of 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride?
The InChIKey is ZATZVTTXJMOLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-21-9-8-19-16(20)13-2-4-14(5-3-13)22-15-10-12(11-17)6-7-18-15;/h2-7,10H,8-9,11,17H2,1H3,(H,19,20);1H.
What are the key properties of 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride?
4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 122516346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).