2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H12F3N3O2 — CID 79355434

IUPAC2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C10H12F3N3O2/c1-6-2-9(18)16(3-7(6)14)4-8(17)15-5-10(11,12)13/h2-3H,4-5,14H2,1H3,(H,15,17)
InChIKeyKJJCIZRKIGPZOV-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.42
Rot. Bonds3

About 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79355434) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79355434
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C10H12F3N3O2/c1-6-2-9(18)16(3-7(6)14)4-8(17)15-5-10(11,12)13/h2-3H,4-5,14H2,1H3,(H,15,17)
InChIKeyKJJCIZRKIGPZOV-UHFFFAOYSA-N
XLogP0.42
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 79355434) is 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(=O)n(CC(=O)NCC(F)(F)F)cc1N.
What is the InChIKey of 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KJJCIZRKIGPZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6-2-9(18)16(3-7(6)14)4-8(17)15-5-10(11,12)13/h2-3H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 263.22 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79355434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).