N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide

C13H19F3N4O2 — CID 141419207

IUPACN-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN(C)c1ccc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O2/c1-9(21)19(2)6-7-20(3)11-5-4-10(17)12(18-11)22-8-13(14,15)16/h4-5H,6-8,17H2,1-3H3
InChIKeyOOKIOPIIVWFFLX-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.52
Rot. Bonds6

About N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide

N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide (PubChem CID 141419207) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide
PubChem CID141419207
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC NameN-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN(C)c1ccc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O2/c1-9(21)19(2)6-7-20(3)11-5-4-10(17)12(18-11)22-8-13(14,15)16/h4-5H,6-8,17H2,1-3H3
InChIKeyOOKIOPIIVWFFLX-UHFFFAOYSA-N
XLogP1.52
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide (CID 141419207) is N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide is CC(=O)N(C)CCN(C)c1ccc(N)c(OCC(F)(F)F)n1.
What is the InChIKey of N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide?
The InChIKey is OOKIOPIIVWFFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-9(21)19(2)6-7-20(3)11-5-4-10(17)12(18-11)22-8-13(14,15)16/h4-5H,6-8,17H2,1-3H3.
What are the key properties of N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide?
N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide has a molecular weight of 320.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methylamino]ethyl]-N-methylacetamide is sourced from PubChem (CID 141419207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).