(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol

C16H22F3N3O3 — CID 171558293

IUPAC(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cccc(C(F)(F)F)n2)CO[C@@H]1CN1CCCC1
InChIInChI=1S/C16H22F3N3O3/c17-16(18,19)12-4-3-5-13(21-12)20-10-9-25-11(15(24)14(10)23)8-22-6-1-2-7-22/h3-5,10-11,14-15,23-24H,1-2,6-9H2,(H,20,21)/t10-,11+,14+,15-/m0/s1
InChIKeyXFMMNHXMIRMLNX-DRABBMOASA-N
MW361.36 g/mol
LogP1.10
Rot. Bonds4

About (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 171558293) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID171558293
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Name(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cccc(C(F)(F)F)n2)CO[C@@H]1CN1CCCC1
InChIInChI=1S/C16H22F3N3O3/c17-16(18,19)12-4-3-5-13(21-12)20-10-9-25-11(15(24)14(10)23)8-22-6-1-2-7-22/h3-5,10-11,14-15,23-24H,1-2,6-9H2,(H,20,21)/t10-,11+,14+,15-/m0/s1
InChIKeyXFMMNHXMIRMLNX-DRABBMOASA-N
XLogP1.10
TPSA77.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

2-((6-(Trifluoromethyl)pyridin-2-yl)amino)propane-1,3-diol
CID 65314262
(2R,3R,4R,5R,6R)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 156818522
(2R,3R,4R,5R,6S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 167408457
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408673
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol
CID 97321079
(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
CID 171359887
N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61779331
[3-Hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl] 2,2,2-trifluoroacetate
CID 145486358
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286506
(2R,3R,4R,5S)-2-methyl-1-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286509
(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155302720

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (CID 171558293) is (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Nc2cccc(C(F)(F)F)n2)CO[C@@H]1CN1CCCC1.
What is the InChIKey of (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is XFMMNHXMIRMLNX-DRABBMOASA-N. The full InChI is InChI=1S/C16H22F3N3O3/c17-16(18,19)12-4-3-5-13(21-12)20-10-9-25-11(15(24)14(10)23)8-22-6-1-2-7-22/h3-5,10-11,14-15,23-24H,1-2,6-9H2,(H,20,21)/t10-,11+,14+,15-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 361.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 171558293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).