2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide

C14H11N3O2 — CID 2403408

IUPAC2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C14H11N3O2/c15-9-11-1-3-13(4-2-11)19-10-14(18)17-12-5-7-16-8-6-12/h1-8H,10H2,(H,16,17,18)
InChIKeyCNJFQMQCYYDFBW-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.97
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide

2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide (PubChem CID 2403408) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide
PubChem CID2403408
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C14H11N3O2/c15-9-11-1-3-13(4-2-11)19-10-14(18)17-12-5-7-16-8-6-12/h1-8H,10H2,(H,16,17,18)
InChIKeyCNJFQMQCYYDFBW-UHFFFAOYSA-N
XLogP1.97
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.97
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-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide (CID 2403408) is 2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide is N#Cc1ccc(OCC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is CNJFQMQCYYDFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-9-11-1-3-13(4-2-11)19-10-14(18)17-12-5-7-16-8-6-12/h1-8H,10H2,(H,16,17,18).
What are the key properties of 2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide?
2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 253.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 2403408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).