3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol

C17H21N3O2 — CID 75168462

IUPAC3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol
SMILESOCCCc1cncc(-c2cncc(OCC3CCN3)c2)c1
InChIInChI=1S/C17H21N3O2/c21-5-1-2-13-6-14(9-18-8-13)15-7-17(11-19-10-15)22-12-16-3-4-20-16/h6-11,16,20-21H,1-5,12H2
InChIKeyCCTFYXLIGXRLCK-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.81
Rot. Bonds7

About 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol

3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol (PubChem CID 75168462) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol
PubChem CID75168462
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol
SMILESOCCCc1cncc(-c2cncc(OCC3CCN3)c2)c1
InChIInChI=1S/C17H21N3O2/c21-5-1-2-13-6-14(9-18-8-13)15-7-17(11-19-10-15)22-12-16-3-4-20-16/h6-11,16,20-21H,1-5,12H2
InChIKeyCCTFYXLIGXRLCK-UHFFFAOYSA-N
XLogP1.81
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
CID 59371346
2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride
CID 68613292
3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
CID 123202222
3-(azetidin-2-ylmethoxy)-5-pentylpyridine
CID 77323353
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride
CID 68611909
[(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol
CID 163591746
3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol
CID 143976874
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
(1R)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1-cyclopropylethanol
CID 90893860
3-(azetidin-2-ylmethoxy)-5-[2-(3-ethylphenyl)ethyl]pyridine
CID 90726650
tert-butyl (2S)-2-[[5-[3-(3-hydroxypropyl)phenyl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate;3-[3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]phenyl]propan-1-ol
CID 157086129

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol (CID 75168462) is 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol is OCCCc1cncc(-c2cncc(OCC3CCN3)c2)c1.
What is the InChIKey of 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol?
The InChIKey is CCTFYXLIGXRLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-5-1-2-13-6-14(9-18-8-13)15-7-17(11-19-10-15)22-12-16-3-4-20-16/h6-11,16,20-21H,1-5,12H2.
What are the key properties of 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol?
3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol has a molecular weight of 299.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 75168462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).