2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide

C15H15N3O4 — CID 18077327

IUPAC2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1cccnc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H15N3O4/c1-11(12-6-3-2-4-7-12)17-14(19)10-22-13-8-5-9-16-15(13)18(20)21/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyUYFFOFNZUIKWJJ-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.25
Rot. Bonds6

About 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide

2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide (PubChem CID 18077327) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
PubChem CID18077327
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1cccnc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H15N3O4/c1-11(12-6-3-2-4-7-12)17-14(19)10-22-13-8-5-9-16-15(13)18(20)21/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyUYFFOFNZUIKWJJ-UHFFFAOYSA-N
XLogP2.25
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.25
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'}

Analyze 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 78745371
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 3493079
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40551951
N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29347080
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7991131
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 8700559
2-(2-nitrophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700556
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide (CID 18077327) is 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide is CC(NC(=O)COc1cccnc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide?
The InChIKey is UYFFOFNZUIKWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-11(12-6-3-2-4-7-12)17-14(19)10-22-13-8-5-9-16-15(13)18(20)21/h2-9,11H,10H2,1H3,(H,17,19).
What are the key properties of 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide?
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide has a molecular weight of 301.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18077327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).