(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide

C11H13FN2O2 — CID 126793790

IUPAC(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C11H13FN2O2/c1-7-2-3-16-10(7)11(15)14-9-4-8(12)5-13-6-9/h4-7,10H,2-3H2,1H3,(H,14,15)/t7-,10+/m1/s1
InChIKeyAUHHYJOOYHOVCI-XCBNKYQSSA-N
MW224.23 g/mol
LogP1.58
Rot. Bonds2

About (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide

(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide (PubChem CID 126793790) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
PubChem CID126793790
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C11H13FN2O2/c1-7-2-3-16-10(7)11(15)14-9-4-8(12)5-13-6-9/h4-7,10H,2-3H2,1H3,(H,14,15)/t7-,10+/m1/s1
InChIKeyAUHHYJOOYHOVCI-XCBNKYQSSA-N
XLogP1.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
CID 103842465
(4aR,6S,8aR)-N-(5-fluoro-3-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 171317452
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methyloxolane-2-carboxamide
CID 119042556
(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide
CID 129349225
N-(5-fluoro-3-pyridinyl)morpholine-4-carboxamide
CID 110872339
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
3-methyl-N-(3-sulfamoylphenyl)oxolane-2-carboxamide
CID 81424664
(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 124851759
3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 119045726
N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
CID 81434051

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide (CID 126793790) is (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide is C[C@@H]1CCO[C@@H]1C(=O)Nc1cncc(F)c1.
What is the InChIKey of (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The InChIKey is AUHHYJOOYHOVCI-XCBNKYQSSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-7-2-3-16-10(7)11(15)14-9-4-8(12)5-13-6-9/h4-7,10H,2-3H2,1H3,(H,14,15)/t7-,10+/m1/s1.
What are the key properties of (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide?
(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 126793790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).