7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane

C17H20N2OS — CID 134071686

IUPAC7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane
SMILESc1ccc(COC2C3CCC2N(Cc2ccsc2)C3)nc1
InChIInChI=1S/C17H20N2OS/c1-2-7-18-15(3-1)11-20-17-14-4-5-16(17)19(10-14)9-13-6-8-21-12-13/h1-3,6-8,12,14,16-17H,4-5,9-11H2
InChIKeyFIHAUBRXVWIOAW-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.32
Rot. Bonds5

About 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane

7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 134071686) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane
PubChem CID134071686
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane
SMILESc1ccc(COC2C3CCC2N(Cc2ccsc2)C3)nc1
InChIInChI=1S/C17H20N2OS/c1-2-7-18-15(3-1)11-20-17-14-4-5-16(17)19(10-14)9-13-6-8-21-12-13/h1-3,6-8,12,14,16-17H,4-5,9-11H2
InChIKeyFIHAUBRXVWIOAW-UHFFFAOYSA-N
XLogP3.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethoxy-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 131653751
(1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
CID 124814119
(3aS,5R,7aS)-5-(pyridin-2-ylmethoxymethyl)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461270
(3S,4R)-4-(pyridin-2-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 134714421
[(1S,4R,7S)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 98780346
2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
CID 131647349
5-(pyridin-2-ylmethyl)-2-(thiophen-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;tris(2,2,2-trifluoroacetic acid)
CID 155829161
(8R)-8-methyl-3-(pyridin-2-ylmethoxymethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97474204
(3aR,6aR)-5-pyrimidin-2-yl-2-(thiophen-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97377083
(3aR,5S,7aR)-N-(pyridin-2-ylmethyl)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461465
7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155861808
1-[(1S,4R,7S)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]-2-thiophen-3-ylethanone
CID 98780388

Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane (CID 134071686) is 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane is c1ccc(COC2C3CCC2N(Cc2ccsc2)C3)nc1.
What is the InChIKey of 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is FIHAUBRXVWIOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-7-18-15(3-1)11-20-17-14-4-5-16(17)19(10-14)9-13-6-8-21-12-13/h1-3,6-8,12,14,16-17H,4-5,9-11H2.
What are the key properties of 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane?
7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 300.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 134071686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).