N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C14H17F3N2O3 — CID 110008501

IUPACN-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NC1(CO)CCCC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-4-3-7-19(12(10)22)8-11(21)18-13(9-20)5-1-2-6-13/h3-4,7,20H,1-2,5-6,8-9H2,(H,18,21)
InChIKeyGWXPYJAJCJSVBV-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.29
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 110008501) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID110008501
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NC1(CO)CCCC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-4-3-7-19(12(10)22)8-11(21)18-13(9-20)5-1-2-6-13/h3-4,7,20H,1-2,5-6,8-9H2,(H,18,21)
InChIKeyGWXPYJAJCJSVBV-UHFFFAOYSA-N
XLogP1.29
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide 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-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 110008501) is N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is GWXPYJAJCJSVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)10-4-3-7-19(12(10)22)8-11(21)18-13(9-20)5-1-2-6-13/h3-4,7,20H,1-2,5-6,8-9H2,(H,18,21).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 318.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 110008501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).