N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide

C8H8F3N3O — CID 130646725

IUPACN-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc(N)cn1
InChIInChI=1S/C8H8F3N3O/c1-14(7(15)8(9,10)11)6-3-2-5(12)4-13-6/h2-4H,12H2,1H3
InChIKeyIFCLFDZECQSUDK-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.19
Rot. Bonds1

About N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide

N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 130646725) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID130646725
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc(N)cn1
InChIInChI=1S/C8H8F3N3O/c1-14(7(15)8(9,10)11)6-3-2-5(12)4-13-6/h2-4H,12H2,1H3
InChIKeyIFCLFDZECQSUDK-UHFFFAOYSA-N
XLogP1.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[methyl(sulfino)amino]pyridine
CID 175914292
N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide
CID 86646056
5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid
CID 165482356
N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide
CID 115273841
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
2-(5-amino-2-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 107339049
2-N-ethyl-2-N-methylpyridine-2,5-diamine
CID 43263136
N-(5-amino-2-pyridinyl)-N-methyl-1-benzofuran-3-carboxamide
CID 115273817
2-[(5-amino-2-pyridinyl)-methylamino]ethylurea
CID 175430745
N-(5-amino-2-pyridinyl)-N-ethylhydroxylamine
CID 54255048
tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 170324871
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide (CID 130646725) is N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)c1ccc(N)cn1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is IFCLFDZECQSUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-14(7(15)8(9,10)11)6-3-2-5(12)4-13-6/h2-4H,12H2,1H3.
What are the key properties of N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide?
N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 219.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 130646725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).