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

C9H9F3N2O2 — CID 47137186

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C9H9F3N2O2/c1-2-7(15)14-6-3-5(9(10,11)12)4-13-8(6)16/h3-4H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeySAYUGPDBTNAUTJ-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.74
Rot. Bonds2

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

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (PubChem CID 47137186) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
PubChem CID47137186
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C9H9F3N2O2/c1-2-7(15)14-6-3-5(9(10,11)12)4-13-8(6)16/h3-4H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeySAYUGPDBTNAUTJ-UHFFFAOYSA-N
XLogP1.74
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (CID 47137186) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is CCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The InChIKey is SAYUGPDBTNAUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-2-7(15)14-6-3-5(9(10,11)12)4-13-8(6)16/h3-4H,2H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide has a molecular weight of 234.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is sourced from PubChem (CID 47137186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).