2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C11H14F3N3O3 — CID 63826173

IUPAC2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESNc1ccc(=O)n(CC(=O)NCCOCC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)7-20-4-3-16-9(18)6-17-5-8(15)1-2-10(17)19/h1-2,5H,3-4,6-7,15H2,(H,16,18)
InChIKeyLRFQYWKYTQHKIL-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.13
Rot. Bonds6

About 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 63826173) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID63826173
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESNc1ccc(=O)n(CC(=O)NCCOCC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)7-20-4-3-16-9(18)6-17-5-8(15)1-2-10(17)19/h1-2,5H,3-4,6-7,15H2,(H,16,18)
InChIKeyLRFQYWKYTQHKIL-UHFFFAOYSA-N
XLogP0.13
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 63826173) is 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is Nc1ccc(=O)n(CC(=O)NCCOCC(F)(F)F)c1.
What is the InChIKey of 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is LRFQYWKYTQHKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)7-20-4-3-16-9(18)6-17-5-8(15)1-2-10(17)19/h1-2,5H,3-4,6-7,15H2,(H,16,18).
What are the key properties of 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 293.25 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 63826173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).