N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C14H17F3N2O3 — CID 99779157

IUPACN-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-2-4-13(22)19(7-10)8-12(21)18-6-9-1-3-11(20)5-9/h2,4,7,9,11,20H,1,3,5-6,8H2,(H,18,21)/t9-,11+/m1/s1
InChIKeyGTQSPHPZYXXQOU-KOLCDFICSA-N
MW318.30 g/mol
LogP1.14
Rot. Bonds4

About N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 99779157) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID99779157
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC NameN-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-2-4-13(22)19(7-10)8-12(21)18-6-9-1-3-11(20)5-9/h2,4,7,9,11,20H,1,3,5-6,8H2,(H,18,21)/t9-,11+/m1/s1
InChIKeyGTQSPHPZYXXQOU-KOLCDFICSA-N
XLogP1.14
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 99779157) is N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1CC[C@H](O)C1.
What is the InChIKey of N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is GTQSPHPZYXXQOU-KOLCDFICSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)10-2-4-13(22)19(7-10)8-12(21)18-6-9-1-3-11(20)5-9/h2,4,7,9,11,20H,1,3,5-6,8H2,(H,18,21)/t9-,11+/m1/s1.
What are the key properties of N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 318.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 99779157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).