2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide

C14H13N3O4 — CID 1247033

IUPAC2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cc(OCC(=O)Nc2ccncc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c1-10-8-12(2-3-13(10)17(19)20)21-9-14(18)16-11-4-6-15-7-5-11/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyLFKFELOVNKYCMZ-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.32
Rot. Bonds5

About 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide

2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide (PubChem CID 1247033) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide
PubChem CID1247033
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cc(OCC(=O)Nc2ccncc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c1-10-8-12(2-3-13(10)17(19)20)21-9-14(18)16-11-4-6-15-7-5-11/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyLFKFELOVNKYCMZ-UHFFFAOYSA-N
XLogP2.32
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.32
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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Related Compounds

N-Pyridin-4-yl-2-p-tolyloxy-acetamide
CID 572152
2-(3-methylphenoxy)-N-(4-pyridinyl)acetamide
CID 814788
2-(4-nitrophenoxy)-N-4-pyridinylacetamide
CID 974849
2-(2-nitrophenoxy)-N-(pyridin-3-yl)acetamide
CID 293815
2-(4-Isopropyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 798146
2-(2,5-dimethylphenoxy)-N-(pyridin-4-yl)acetamide
CID 807261
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 831713
2-(2,6-dimethylphenoxy)-N-(4-pyridinyl)acetamide
CID 838189
2-(4-tert-pentylphenoxy)-N-(4-pyridinyl)acetamide
CID 839550
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide
CID 893207
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 1082799
N-Pyridin-4-yl-2-o-tolyloxy-acetamide
CID 1101312

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide (CID 1247033) is 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide is Cc1cc(OCC(=O)Nc2ccncc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is LFKFELOVNKYCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-10-8-12(2-3-13(10)17(19)20)21-9-14(18)16-11-4-6-15-7-5-11/h2-8H,9H2,1H3,(H,15,16,18).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide?
2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 287.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 1247033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).