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

C10H11N3O4 — CID 3578333

IUPACN-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C10H11N3O4/c14-9(12-7-3-4-7)6-17-8-2-1-5-11-10(8)13(15)16/h1-2,5,7H,3-4,6H2,(H,12,14)
InChIKeyXJSPSCRYWASILH-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.65
Rot. Bonds5

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

N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 3578333) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID3578333
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC NameN-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C10H11N3O4/c14-9(12-7-3-4-7)6-17-8-2-1-5-11-10(8)13(15)16/h1-2,5,7H,3-4,6H2,(H,12,14)
InChIKeyXJSPSCRYWASILH-UHFFFAOYSA-N
XLogP0.65
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.65
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-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4578815
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 119476242
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 3493079
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 3347612
N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8650969

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 3578333) is N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide is O=C(COc1cccnc1[N+](=O)[O-])NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is XJSPSCRYWASILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-9(12-7-3-4-7)6-17-8-2-1-5-11-10(8)13(15)16/h1-2,5,7H,3-4,6H2,(H,12,14).
What are the key properties of N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 237.21 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 3578333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).