2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide

C13H12N4O4 — CID 80865429

IUPAC2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccccc2C(N)=O)n1
InChIInChI=1S/C13H12N4O4/c1-15-11-7-6-9(17(19)20)13(16-11)21-10-5-3-2-4-8(10)12(14)18/h2-7H,1H3,(H2,14,18)(H,15,16)
InChIKeyQMBVHYPUFABHNM-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.92
Rot. Bonds5

About 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide

2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide (PubChem CID 80865429) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide
PubChem CID80865429
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccccc2C(N)=O)n1
InChIInChI=1S/C13H12N4O4/c1-15-11-7-6-9(17(19)20)13(16-11)21-10-5-3-2-4-8(10)12(14)18/h2-7H,1H3,(H2,14,18)(H,15,16)
InChIKeyQMBVHYPUFABHNM-UHFFFAOYSA-N
XLogP1.92
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.92
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

6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80869880
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
2-(4-acetyl-2-nitrophenoxy)benzamide
CID 9251324
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663109
2-[5-[(1S)-1-hydroxyethyl]-3-nitrothiophen-2-yl]oxybenzamide
CID 103942172
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-2-nitrobenzamide
CID 90580480

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide?
The IUPAC name of 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide (CID 80865429) is 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide is CNc1ccc([N+](=O)[O-])c(Oc2ccccc2C(N)=O)n1.
What is the InChIKey of 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide?
The InChIKey is QMBVHYPUFABHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-15-11-7-6-9(17(19)20)13(16-11)21-10-5-3-2-4-8(10)12(14)18/h2-7H,1H3,(H2,14,18)(H,15,16).
What are the key properties of 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide?
2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide has a molecular weight of 288.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 80865429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).