4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide

C12H15F3N2O3 — CID 47248939

IUPAC4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCCOCCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H15F3N2O3/c1-2-20-5-3-4-10(18)17-9-6-8(12(13,14)15)7-16-11(9)19/h6-7H,2-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyXCJAHTRWYTYRAU-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.15
Rot. Bonds6

About 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide

4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (PubChem CID 47248939) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
PubChem CID47248939
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCCOCCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H15F3N2O3/c1-2-20-5-3-4-10(18)17-9-6-8(12(13,14)15)7-16-11(9)19/h6-7H,2-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyXCJAHTRWYTYRAU-UHFFFAOYSA-N
XLogP2.15
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (CID 47248939) is 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is CCOCCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The InChIKey is XCJAHTRWYTYRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-2-20-5-3-4-10(18)17-9-6-8(12(13,14)15)7-16-11(9)19/h6-7H,2-5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide has a molecular weight of 292.26 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is sourced from PubChem (CID 47248939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).