2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H14F3N3O3 — CID 62814794

IUPAC2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccc(=O)n(CC(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)7-16(3-4-18)10(20)6-17-5-8(15)1-2-9(17)19/h1-2,5,18H,3-4,6-7,15H2
InChIKeyXNLULTNKHDFXQQ-UHFFFAOYSA-N
MW293.24 g/mol
LogP-0.19
Rot. Bonds5

About 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62814794) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62814794
Molecular FormulaC11H14F3N3O3
Molecular Weight293.24 g/mol
Exact Mass293.10
IUPAC Name2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccc(=O)n(CC(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)7-16(3-4-18)10(20)6-17-5-8(15)1-2-9(17)19/h1-2,5,18H,3-4,6-7,15H2
InChIKeyXNLULTNKHDFXQQ-UHFFFAOYSA-N
XLogP-0.19
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 62814794) is 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is Nc1ccc(=O)n(CC(=O)N(CCO)CC(F)(F)F)c1.
What is the InChIKey of 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XNLULTNKHDFXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)7-16(3-4-18)10(20)6-17-5-8(15)1-2-9(17)19/h1-2,5,18H,3-4,6-7,15H2.
What are the key properties of 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.24 g/mol, XLogP of -0.19, 5 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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62814794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).