2-(4-nitrophenyl)-N-pyridin-3-ylacetamide

C13H11N3O3 — CID 814729

IUPAC2-(4-nitrophenyl)-N-pyridin-3-ylacetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1
InChIInChI=1S/C13H11N3O3/c17-13(15-11-2-1-7-14-9-11)8-10-3-5-12(6-4-10)16(18)19/h1-7,9H,8H2,(H,15,17)
InChIKeyLJOBGVWJBHFIDA-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-nitrophenyl)-N-pyridin-3-ylacetamide

2-(4-nitrophenyl)-N-pyridin-3-ylacetamide (PubChem CID 814729) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-pyridin-3-ylacetamide
PubChem CID814729
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-(4-nitrophenyl)-N-pyridin-3-ylacetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1
InChIInChI=1S/C13H11N3O3/c17-13(15-11-2-1-7-14-9-11)8-10-3-5-12(6-4-10)16(18)19/h1-7,9H,8H2,(H,15,17)
InChIKeyLJOBGVWJBHFIDA-UHFFFAOYSA-N
XLogP2.17
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitrophenyl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-pyridin-3-ylacetamide (CID 814729) is 2-(4-nitrophenyl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-pyridin-3-ylacetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-pyridin-3-ylacetamide?
The InChIKey is LJOBGVWJBHFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(15-11-2-1-7-14-9-11)8-10-3-5-12(6-4-10)16(18)19/h1-7,9H,8H2,(H,15,17).
What are the key properties of 2-(4-nitrophenyl)-N-pyridin-3-ylacetamide?
2-(4-nitrophenyl)-N-pyridin-3-ylacetamide has a molecular weight of 257.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 814729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).