2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide

C16H15N3O2 — CID 43396288

IUPAC2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(C#N)cc1)c1cccnc1
InChIInChI=1S/C16H15N3O2/c1-12(14-3-2-8-18-10-14)19-16(20)11-21-15-6-4-13(9-17)5-7-15/h2-8,10,12H,11H2,1H3,(H,19,20)
InChIKeyXSGQVFRHSRJYCB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.21
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide

2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide (PubChem CID 43396288) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
PubChem CID43396288
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(C#N)cc1)c1cccnc1
InChIInChI=1S/C16H15N3O2/c1-12(14-3-2-8-18-10-14)19-16(20)11-21-15-6-4-13(9-17)5-7-15/h2-8,10,12H,11H2,1H3,(H,19,20)
InChIKeyXSGQVFRHSRJYCB-UHFFFAOYSA-N
XLogP2.21
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51193139
2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856270
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
N-[1-(4-cyanophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55582792
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247133
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794
2-(4-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725950
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide (CID 43396288) is 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide is CC(NC(=O)COc1ccc(C#N)cc1)c1cccnc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide?
The InChIKey is XSGQVFRHSRJYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12(14-3-2-8-18-10-14)19-16(20)11-21-15-6-4-13(9-17)5-7-15/h2-8,10,12H,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide?
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 43396288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).