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

C11H13F3N2O3 — CID 47248894

IUPAC4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCOCCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-19-4-2-3-9(17)16-8-5-7(11(12,13)14)6-15-10(8)18/h5-6H,2-4H2,1H3,(H,15,18)(H,16,17)
InChIKeyNCLPUQYABILWIP-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.76
Rot. Bonds5

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

4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (PubChem CID 47248894) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
PubChem CID47248894
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
SMILESCOCCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-19-4-2-3-9(17)16-8-5-7(11(12,13)14)6-15-10(8)18/h5-6H,2-4H2,1H3,(H,15,18)(H,16,17)
InChIKeyNCLPUQYABILWIP-UHFFFAOYSA-N
XLogP1.76
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.76
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-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The IUPAC name of 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (CID 47248894) is 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is COCCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
The InChIKey is NCLPUQYABILWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-19-4-2-3-9(17)16-8-5-7(11(12,13)14)6-15-10(8)18/h5-6H,2-4H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?
4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide has a molecular weight of 278.23 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is sourced from PubChem (CID 47248894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).