N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide

C17H19N3O4 — CID 108510112

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C17H19N3O4/c1-11(12-7-8-13(23-2)14(10-12)24-3)19-16(21)17(22)20-15-6-4-5-9-18-15/h4-11H,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyXNBXYGIGOISXBS-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.91
Rot. Bonds5

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide (PubChem CID 108510112) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide
PubChem CID108510112
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C17H19N3O4/c1-11(12-7-8-13(23-2)14(10-12)24-3)19-16(21)17(22)20-15-6-4-5-9-18-15/h4-11H,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyXNBXYGIGOISXBS-UHFFFAOYSA-N
XLogP1.91
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-3-yloxamide
CID 108510113
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
CID 108510015
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108500688
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108510196
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide
CID 108510018

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide (CID 108510112) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide is COc1ccc(C(C)NC(=O)C(=O)Nc2ccccn2)cc1OC.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide?
The InChIKey is XNBXYGIGOISXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(12-7-8-13(23-2)14(10-12)24-3)19-16(21)17(22)20-15-6-4-5-9-18-15/h4-11H,1-3H3,(H,19,21)(H,18,20,22).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide has a molecular weight of 329.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide is sourced from PubChem (CID 108510112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).