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

C16H20ClN3O3 — CID 122516185

IUPAC3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1cccc(Oc2cc(CN)ccn2)c1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-8-7-19-16(20)13-3-2-4-14(10-13)22-15-9-12(11-17)5-6-18-15;/h2-6,9-10H,7-8,11,17H2,1H3,(H,19,20);1H
InChIKeySGFRMAJUABLCJY-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.13
Rot. Bonds7

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

3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride (PubChem CID 122516185) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride
PubChem CID122516185
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1cccc(Oc2cc(CN)ccn2)c1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-8-7-19-16(20)13-3-2-4-14(10-13)22-15-9-12(11-17)5-6-18-15;/h2-6,9-10H,7-8,11,17H2,1H3,(H,19,20);1H
InChIKeySGFRMAJUABLCJY-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

N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
N-(3-(ethylcarbamoyl) benzyl)-6H-isochromeno [3,4-c] pyridine-8-carboxamide
CID 129159093
4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
9P7ZX5Bwv8
CID 9904911
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
6-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c] pyridine-8-carboxamide
CID 86566735
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 86764444
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
CID 121363564

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride?
The IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride (CID 122516185) is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride is COCCNC(=O)c1cccc(Oc2cc(CN)ccn2)c1.Cl.
What is the InChIKey of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride?
The InChIKey is SGFRMAJUABLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-21-8-7-19-16(20)13-3-2-4-14(10-13)22-15-9-12(11-17)5-6-18-15;/h2-6,9-10H,7-8,11,17H2,1H3,(H,19,20);1H.
What are the key properties of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride?
3-[[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 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 122516185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).