2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide

C11H13F3N4O4 — CID 141419218

IUPAC2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O4/c1-17(2)5-9(19)15-8-4-3-7(18(20)21)10(16-8)22-6-11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,16,19)
InChIKeyCFNGGGGTKMPUGV-UHFFFAOYSA-N
MW322.24 g/mol
LogP1.43
Rot. Bonds6

About 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide

2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide (PubChem CID 141419218) has the molecular formula C11H13F3N4O4 and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
PubChem CID141419218
Molecular FormulaC11H13F3N4O4
Molecular Weight322.24 g/mol
Exact Mass322.09
IUPAC Name2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O4/c1-17(2)5-9(19)15-8-4-3-7(18(20)21)10(16-8)22-6-11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,16,19)
InChIKeyCFNGGGGTKMPUGV-UHFFFAOYSA-N
XLogP1.43
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide (CID 141419218) is 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide is CN(C)CC(=O)Nc1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1.
What is the InChIKey of 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide?
The InChIKey is CFNGGGGTKMPUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O4/c1-17(2)5-9(19)15-8-4-3-7(18(20)21)10(16-8)22-6-11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide?
2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide has a molecular weight of 322.24 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide is sourced from PubChem (CID 141419218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).