N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide

C11H10F6N2O3 — CID 56814265

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H10F6N2O3/c12-10(13,14)5-22-2-1-8(20)19-7-3-6(11(15,16)17)4-18-9(7)21/h3-4H,1-2,5H2,(H,18,21)(H,19,20)
InChIKeyRDPXUTAVLOKXAI-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.30
Rot. Bonds5

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 56814265) has the molecular formula C11H10F6N2O3 and a molecular weight of 332.20 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID56814265
Molecular FormulaC11H10F6N2O3
Molecular Weight332.20 g/mol
Exact Mass332.06
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H10F6N2O3/c12-10(13,14)5-22-2-1-8(20)19-7-3-6(11(15,16)17)4-18-9(7)21/h3-4H,1-2,5H2,(H,18,21)(H,19,20)
InChIKeyRDPXUTAVLOKXAI-UHFFFAOYSA-N
XLogP2.30
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 56814265) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is RDPXUTAVLOKXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O3/c12-10(13,14)5-22-2-1-8(20)19-7-3-6(11(15,16)17)4-18-9(7)21/h3-4H,1-2,5H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 332.20 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 56814265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).