2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide

C20H15N3O2 — CID 826941

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c21-12-15-3-5-16(6-4-15)17-7-9-19(10-8-17)25-14-20(24)23-18-2-1-11-22-13-18/h1-11,13H,14H2,(H,23,24)
InChIKeyNNGGTKUYMGTFDA-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide

2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide (PubChem CID 826941) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide
PubChem CID826941
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c21-12-15-3-5-16(6-4-15)17-7-9-19(10-8-17)25-14-20(24)23-18-2-1-11-22-13-18/h1-11,13H,14H2,(H,23,24)
InChIKeyNNGGTKUYMGTFDA-UHFFFAOYSA-N
XLogP3.64
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide (CID 826941) is 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide is N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccnc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide?
The InChIKey is NNGGTKUYMGTFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-12-15-3-5-16(6-4-15)17-7-9-19(10-8-17)25-14-20(24)23-18-2-1-11-22-13-18/h1-11,13H,14H2,(H,23,24).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide has a molecular weight of 329.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 826941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).