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

C11H14N4O5 — CID 3493079

IUPAC2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O5/c1-7(2)13-11(17)14-9(16)6-20-8-4-3-5-12-10(8)15(18)19/h3-5,7H,6H2,1-2H3,(H2,13,14,16,17)
InChIKeyJOVCWEJIOLNTDU-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.60
Rot. Bonds5

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

2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 3493079) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID3493079
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O5/c1-7(2)13-11(17)14-9(16)6-20-8-4-3-5-12-10(8)15(18)19/h3-5,7H,6H2,1-2H3,(H2,13,14,16,17)
InChIKeyJOVCWEJIOLNTDU-UHFFFAOYSA-N
XLogP0.60
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 78745371
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40551951
N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4578815
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-nitrophenoxy)acetamide
CID 7819293
N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
CID 16959114
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide (CID 3493079) is 2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is JOVCWEJIOLNTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-7(2)13-11(17)14-9(16)6-20-8-4-3-5-12-10(8)15(18)19/h3-5,7H,6H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide?
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 282.26 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 3493079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).