2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide

C16H15N3O2 — CID 2525644

IUPAC2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C16H15N3O2/c17-11-13-4-6-15(7-5-13)21-12-16(20)19-10-8-14-3-1-2-9-18-14/h1-7,9H,8,10,12H2,(H,19,20)
InChIKeyCMKDVQXZQLVMFR-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.69
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide

2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 2525644) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID2525644
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C16H15N3O2/c17-11-13-4-6-15(7-5-13)21-12-16(20)19-10-8-14-3-1-2-9-18-14/h1-7,9H,8,10,12H2,(H,19,20)
InChIKeyCMKDVQXZQLVMFR-UHFFFAOYSA-N
XLogP1.69
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide (CID 2525644) is 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide is N#Cc1ccc(OCC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is CMKDVQXZQLVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-11-13-4-6-15(7-5-13)21-12-16(20)19-10-8-14-3-1-2-9-18-14/h1-7,9H,8,10,12H2,(H,19,20).
What are the key properties of 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide?
2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 2525644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).