2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide

C18H19N3O4 — CID 166315319

IUPAC2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1cccc(CNC(=O)COc2ccncc2C#N)c1
InChIInChI=1S/C18H19N3O4/c1-23-7-8-24-16-4-2-3-14(9-16)11-21-18(22)13-25-17-5-6-20-12-15(17)10-19/h2-6,9,12H,7-8,11,13H2,1H3,(H,21,22)
InChIKeyZDOGERQNLUPUIA-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.67
Rot. Bonds9

About 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide

2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide (PubChem CID 166315319) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
PubChem CID166315319
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1cccc(CNC(=O)COc2ccncc2C#N)c1
InChIInChI=1S/C18H19N3O4/c1-23-7-8-24-16-4-2-3-14(9-16)11-21-18(22)13-25-17-5-6-20-12-15(17)10-19/h2-6,9,12H,7-8,11,13H2,1H3,(H,21,22)
InChIKeyZDOGERQNLUPUIA-UHFFFAOYSA-N
XLogP1.67
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057420
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
CID 87005469
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
CID 91828637
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2565300
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide (CID 166315319) is 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide is COCCOc1cccc(CNC(=O)COc2ccncc2C#N)c1.
What is the InChIKey of 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
The InChIKey is ZDOGERQNLUPUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-23-7-8-24-16-4-2-3-14(9-16)11-21-18(22)13-25-17-5-6-20-12-15(17)10-19/h2-6,9,12H,7-8,11,13H2,1H3,(H,21,22).
What are the key properties of 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-pyridinyl)oxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 166315319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).