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

C13H11N3O4 — CID 974849

IUPAC2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccncc1
InChIInChI=1S/C13H11N3O4/c17-13(15-10-5-7-14-8-6-10)9-20-12-3-1-11(2-4-12)16(18)19/h1-8H,9H2,(H,14,15,17)
InChIKeyUQFWWVPLAJRPRI-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.01
Rot. Bonds5

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

2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide (PubChem CID 974849) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide
PubChem CID974849
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccncc1
InChIInChI=1S/C13H11N3O4/c17-13(15-10-5-7-14-8-6-10)9-20-12-3-1-11(2-4-12)16(18)19/h1-8H,9H2,(H,14,15,17)
InChIKeyUQFWWVPLAJRPRI-UHFFFAOYSA-N
XLogP2.01
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-(4-nitrophenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide (CID 974849) is 2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccncc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is UQFWWVPLAJRPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-13(15-10-5-7-14-8-6-10)9-20-12-3-1-11(2-4-12)16(18)19/h1-8H,9H2,(H,14,15,17).
What are the key properties of 2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide?
2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 273.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 974849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).