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

C11H15F3N4O2 — CID 141419197

IUPACN-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2/c1-18(2)5-9(19)16-8-4-3-7(15)10(17-8)20-6-11(12,13)14/h3-4H,5-6,15H2,1-2H3,(H,16,17,19)
InChIKeyKDVIAWHPUNCLRB-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.11
Rot. Bonds5

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

N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide (PubChem CID 141419197) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide
PubChem CID141419197
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2/c1-18(2)5-9(19)16-8-4-3-7(15)10(17-8)20-6-11(12,13)14/h3-4H,5-6,15H2,1-2H3,(H,16,17,19)
InChIKeyKDVIAWHPUNCLRB-UHFFFAOYSA-N
XLogP1.11
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide (CID 141419197) is N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(N)c(OCC(F)(F)F)n1.
What is the InChIKey of N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide?
The InChIKey is KDVIAWHPUNCLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-18(2)5-9(19)16-8-4-3-7(15)10(17-8)20-6-11(12,13)14/h3-4H,5-6,15H2,1-2H3,(H,16,17,19).
What are the key properties of N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide?
N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide has a molecular weight of 292.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 141419197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).