3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane

C15H21N3O — CID 90729487

IUPAC3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESCN1CCC1COc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C15H21N3O/c1-17-3-2-13(17)10-19-15-5-14(6-16-7-15)18-8-11-4-12(11)9-18/h5-7,11-13H,2-4,8-10H2,1H3
InChIKeyIMGDAPKVHZYYRJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.62
Rot. Bonds4

About 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane

3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 90729487) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
PubChem CID90729487
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESCN1CCC1COc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C15H21N3O/c1-17-3-2-13(17)10-19-15-5-14(6-16-7-15)18-8-11-4-12(11)9-18/h5-7,11-13H,2-4,8-10H2,1H3
InChIKeyIMGDAPKVHZYYRJ-UHFFFAOYSA-N
XLogP1.62
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 91081660
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 143976866
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869
3-[5-[[(2R)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane;tert-butyl (2R)-2-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 158454131
5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-ol
CID 122208649
3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 54543306
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride
CID 67585227
2-methyl-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 18391691
2-hexyl-4-[5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-pyridinyl]pyridine
CID 58493695
2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine
CID 22872636
3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
CID 67615056
3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethynyl)pyridine
CID 18458929

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane (CID 90729487) is 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane is CN1CCC1COc1cncc(N2CC3CC3C2)c1.
What is the InChIKey of 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is IMGDAPKVHZYYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-3-2-13(17)10-19-15-5-14(6-16-7-15)18-8-11-4-12(11)9-18/h5-7,11-13H,2-4,8-10H2,1H3.
What are the key properties of 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 259.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 90729487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).