2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide

C13H19N3O4 — CID 3882767

IUPAC2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-4-5-9(2)14-12(17)8-20-11-7-6-10(3)15-13(11)16(18)19/h6-7,9H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyZFJJDZMKVRTYDO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.98
Rot. Bonds7

About 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide (PubChem CID 3882767) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide
PubChem CID3882767
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-4-5-9(2)14-12(17)8-20-11-7-6-10(3)15-13(11)16(18)19/h6-7,9H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyZFJJDZMKVRTYDO-UHFFFAOYSA-N
XLogP1.98
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.98
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

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
CID 4007812
2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
CID 79150972
butyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetate
CID 60626235
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 3969167
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 4587350
N-(2,5-dimethylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4788672
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4963446
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 62099667
1-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 115576386
N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine
CID 62098823
4-[(6-methyl-2-nitro-3-pyridinyl)oxy]pentanehydrazide
CID 63569304

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide (CID 3882767) is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccc(C)nc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide?
The InChIKey is ZFJJDZMKVRTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-5-9(2)14-12(17)8-20-11-7-6-10(3)15-13(11)16(18)19/h6-7,9H,4-5,8H2,1-3H3,(H,14,17).
What are the key properties of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide?
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide has a molecular weight of 281.31 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 3882767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).