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

C16H19N3O3 — CID 122516140

IUPAC3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(Oc2cc(CN)ccn2)c1
InChIInChI=1S/C16H19N3O3/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)
InChIKeyIUMJMWGBIFYVAC-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.71
Rot. Bonds7

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

3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide (PubChem CID 122516140) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
PubChem CID122516140
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(Oc2cc(CN)ccn2)c1
InChIInChI=1S/C16H19N3O3/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)
InChIKeyIUMJMWGBIFYVAC-UHFFFAOYSA-N
XLogP1.71
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.71
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-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]-N-[2-(dimethylamino)ethyl]benzamide;methane
CID 158757538
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
N-hexyl-3-pyridin-2-yloxybenzamide
CID 90596510
N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511
3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-(2-sulfamoylethyl)benzamide;hydrochloride
CID 135186057
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide (CID 122516140) is 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(Oc2cc(CN)ccn2)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
The InChIKey is IUMJMWGBIFYVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/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).
What are the key properties of 3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide has a molecular weight of 301.35 g/mol, XLogP of 1.71, 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 is sourced from PubChem (CID 122516140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).