2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide

C23H26N4O4 — CID 88921479

IUPAC2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
SMILESN#Cc1ccc(CON=CCc2ccc(OCC(=O)NCC3CCOCC3)nc2)cc1
InChIInChI=1S/C23H26N4O4/c24-13-18-1-3-21(4-2-18)16-31-27-10-7-19-5-6-23(26-15-19)30-17-22(28)25-14-20-8-11-29-12-9-20/h1-6,10,15,20H,7-9,11-12,14,16-17H2,(H,25,28)
InChIKeySCHYNWYYRRORML-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.62
Rot. Bonds10

About 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide

2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 88921479) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
PubChem CID88921479
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
SMILESN#Cc1ccc(CON=CCc2ccc(OCC(=O)NCC3CCOCC3)nc2)cc1
InChIInChI=1S/C23H26N4O4/c24-13-18-1-3-21(4-2-18)16-31-27-10-7-19-5-6-23(26-15-19)30-17-22(28)25-14-20-8-11-29-12-9-20/h1-6,10,15,20H,7-9,11-12,14,16-17H2,(H,25,28)
InChIKeySCHYNWYYRRORML-UHFFFAOYSA-N
XLogP2.62
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide (CID 88921479) is 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide is N#Cc1ccc(CON=CCc2ccc(OCC(=O)NCC3CCOCC3)nc2)cc1.
What is the InChIKey of 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is SCHYNWYYRRORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c24-13-18-1-3-21(4-2-18)16-31-27-10-7-19-5-6-23(26-15-19)30-17-22(28)25-14-20-8-11-29-12-9-20/h1-6,10,15,20H,7-9,11-12,14,16-17H2,(H,25,28).
What are the key properties of 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide?
2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 422.49 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 88921479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).