N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide

C13H15F3N2O3 — CID 71693978

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H15F3N2O3/c1-6(19)18-11-8(4-9(20)12(11)21)7-2-3-10(17-5-7)13(14,15)16/h2-3,5,8-9,11-12,20-21H,4H2,1H3,(H,18,19)/t8-,9-,11-,12-/m1/s1
InChIKeyYYUIVOLYURHLEK-CNVPUSNMSA-N
MW304.27 g/mol
LogP0.81
Rot. Bonds2

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide (PubChem CID 71693978) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide
PubChem CID71693978
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H15F3N2O3/c1-6(19)18-11-8(4-9(20)12(11)21)7-2-3-10(17-5-7)13(14,15)16/h2-3,5,8-9,11-12,20-21H,4H2,1H3,(H,18,19)/t8-,9-,11-,12-/m1/s1
InChIKeyYYUIVOLYURHLEK-CNVPUSNMSA-N
XLogP0.81
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide (CID 71693978) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide is CC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide?
The InChIKey is YYUIVOLYURHLEK-CNVPUSNMSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-6(19)18-11-8(4-9(20)12(11)21)7-2-3-10(17-5-7)13(14,15)16/h2-3,5,8-9,11-12,20-21H,4H2,1H3,(H,18,19)/t8-,9-,11-,12-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide has a molecular weight of 304.27 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide is sourced from PubChem (CID 71693978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).