2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C15H18F3N3O4 — CID 10361206

IUPAC2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(=O)Nc1cccn(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C15H18F3N3O4/c1-8(2)12(13(24)15(16,17)18)20-11(23)7-21-6-4-5-10(14(21)25)19-9(3)22/h4-6,8,12H,7H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQIOIVBRPECJGDP-UHFFFAOYSA-N
MW361.32 g/mol
LogP1.08
Rot. Bonds6

About 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10361206) has the molecular formula C15H18F3N3O4 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10361206
Molecular FormulaC15H18F3N3O4
Molecular Weight361.32 g/mol
Exact Mass361.12
IUPAC Name2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(=O)Nc1cccn(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C15H18F3N3O4/c1-8(2)12(13(24)15(16,17)18)20-11(23)7-21-6-4-5-10(14(21)25)19-9(3)22/h4-6,8,12H,7H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQIOIVBRPECJGDP-UHFFFAOYSA-N
XLogP1.08
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10361206) is 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(=O)Nc1cccn(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O.
What is the InChIKey of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is QIOIVBRPECJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O4/c1-8(2)12(13(24)15(16,17)18)20-11(23)7-21-6-4-5-10(14(21)25)19-9(3)22/h4-6,8,12H,7H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 361.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10361206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).