2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol

C16H22FN5O2 — CID 128990716

IUPAC2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)n1
InChIInChI=1S/C16H22FN5O2/c1-10-4-5-15(23)14(18-10)9-21(3)8-13-6-12(17)7-22(13)16-20-19-11(2)24-16/h4-5,12-13,23H,6-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyLBAKJIQGJCEFCY-STQMWFEESA-N
MW335.38 g/mol
LogP1.84
Rot. Bonds5

About 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol

2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 128990716) has the molecular formula C16H22FN5O2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID128990716
Molecular FormulaC16H22FN5O2
Molecular Weight335.38 g/mol
Exact Mass335.18
IUPAC Name2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)n1
InChIInChI=1S/C16H22FN5O2/c1-10-4-5-15(23)14(18-10)9-21(3)8-13-6-12(17)7-22(13)16-20-19-11(2)24-16/h4-5,12-13,23H,6-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyLBAKJIQGJCEFCY-STQMWFEESA-N
XLogP1.84
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol (CID 128990716) is 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)n1.
What is the InChIKey of 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is LBAKJIQGJCEFCY-STQMWFEESA-N. The full InChI is InChI=1S/C16H22FN5O2/c1-10-4-5-15(23)14(18-10)9-21(3)8-13-6-12(17)7-22(13)16-20-19-11(2)24-16/h4-5,12-13,23H,6-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol?
2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 335.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 128990716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).