N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide

C15H12F3N3O4 — CID 141373250

IUPACN-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide
SMILESCOc1nc(N(C)C(=O)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12F3N3O4/c1-20(12-8-7-11(21(23)24)13(19-12)25-2)14(22)9-5-3-4-6-10(9)15(16,17)18/h3-8H,1-2H3
InChIKeyIZUVNRFCBDANEW-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.29
Rot. Bonds4

About N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide

N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 141373250) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID141373250
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC NameN-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide
SMILESCOc1nc(N(C)C(=O)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12F3N3O4/c1-20(12-8-7-11(21(23)24)13(19-12)25-2)14(22)9-5-3-4-6-10(9)15(16,17)18/h3-8H,1-2H3
InChIKeyIZUVNRFCBDANEW-UHFFFAOYSA-N
XLogP3.29
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
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-methoxy-6-nitro-3-(trifluoromethyl)pyridine
CID 133094984
2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol
CID 141419227
6-methoxy-5-nitropyridine-2-carboxamide
CID 55252610
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134664936
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109
N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22245166
N-(6-methoxy-5-nitro-2-pyridinyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373202
N-methoxy-N-methyl-2-nitrobenzamide
CID 4779158
methyl 2-(trifluoromethyl)benzoate
CID 2775578
methyl 2-nitro-6-(trifluoromethyl)benzoate
CID 46311175
methyl 4-[ethyl(methyl)amino]-2-nitro-5-[2-(trifluoromethyl)phenoxy]benzoate
CID 70841164
3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510890

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide (CID 141373250) is N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide is COc1nc(N(C)C(=O)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is IZUVNRFCBDANEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c1-20(12-8-7-11(21(23)24)13(19-12)25-2)14(22)9-5-3-4-6-10(9)15(16,17)18/h3-8H,1-2H3.
What are the key properties of N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide?
N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 355.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-5-nitro-2-pyridinyl)-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 141373250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).