2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide

C12H14F3N3O3 — CID 141104540

IUPAC2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide
SMILESCCC(C(N)=O)n1cc(C(F)(F)F)cc(NC(C)=O)c1=O
InChIInChI=1S/C12H14F3N3O3/c1-3-9(10(16)20)18-5-7(12(13,14)15)4-8(11(18)21)17-6(2)19/h4-5,9H,3H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyKDFPHLZUQJQFBL-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.26
Rot. Bonds4

About 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide

2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide (PubChem CID 141104540) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide.

Molecular Properties

Compound Name2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide
PubChem CID141104540
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide
SMILESCCC(C(N)=O)n1cc(C(F)(F)F)cc(NC(C)=O)c1=O
InChIInChI=1S/C12H14F3N3O3/c1-3-9(10(16)20)18-5-7(12(13,14)15)4-8(11(18)21)17-6(2)19/h4-5,9H,3H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyKDFPHLZUQJQFBL-UHFFFAOYSA-N
XLogP1.26
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide?
The IUPAC name of 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide (CID 141104540) is 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide.
What is the SMILES notation for 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide?
The canonical SMILES for 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide is CCC(C(N)=O)n1cc(C(F)(F)F)cc(NC(C)=O)c1=O.
What is the InChIKey of 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide?
The InChIKey is KDFPHLZUQJQFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-3-9(10(16)20)18-5-7(12(13,14)15)4-8(11(18)21)17-6(2)19/h4-5,9H,3H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide?
2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide has a molecular weight of 305.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide is sourced from PubChem (CID 141104540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).