2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H10F3N3O2 — CID 55035707

IUPAC2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)5-14-7(16)4-15-3-1-2-6(13)8(15)17/h1-3H,4-5,13H2,(H,14,16)
InChIKeyFEGFZGRHIZXEAI-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.11
Rot. Bonds3

About 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55035707) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55035707
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)5-14-7(16)4-15-3-1-2-6(13)8(15)17/h1-3H,4-5,13H2,(H,14,16)
InChIKeyFEGFZGRHIZXEAI-UHFFFAOYSA-N
XLogP0.11
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 55035707) is 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is Nc1cccn(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FEGFZGRHIZXEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)5-14-7(16)4-15-3-1-2-6(13)8(15)17/h1-3H,4-5,13H2,(H,14,16).
What are the key properties of 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 249.19 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55035707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).