[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone

C20H20N6O2 — CID 90412463

IUPAC[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C20H20N6O2/c27-20(19-17(4-3-9-22-19)26-23-10-11-24-26)25-15-6-7-16(25)14(12-15)13-28-18-5-1-2-8-21-18/h1-5,8-11,14-16H,6-7,12-13H2
InChIKeyUDZQGFXBOQDJAU-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.13
Rot. Bonds5

About [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone

[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 90412463) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID90412463
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C20H20N6O2/c27-20(19-17(4-3-9-22-19)26-23-10-11-24-26)25-15-6-7-16(25)14(12-15)13-28-18-5-1-2-8-21-18/h1-5,8-11,14-16H,6-7,12-13H2
InChIKeyUDZQGFXBOQDJAU-UHFFFAOYSA-N
XLogP2.13
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (CID 90412463) is [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is O=C(c1ncccc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2.
What is the InChIKey of [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is UDZQGFXBOQDJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-20(19-17(4-3-9-22-19)26-23-10-11-24-26)25-15-6-7-16(25)14(12-15)13-28-18-5-1-2-8-21-18/h1-5,8-11,14-16H,6-7,12-13H2.
What are the key properties of [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 376.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 90412463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).