7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane

C19H23N3O — CID 97451291

IUPAC7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
SMILESc1ccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)nc1
InChIInChI=1S/C19H23N3O/c1-2-9-21-16(4-1)15-22-10-6-19(7-11-22)12-18(13-19)23-17-5-3-8-20-14-17/h1-5,8-9,14,18H,6-7,10-13,15H2
InChIKeyHQIFCIQMPJCELK-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.30
Rot. Bonds4

About 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane

7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane (PubChem CID 97451291) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
PubChem CID97451291
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
SMILESc1ccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)nc1
InChIInChI=1S/C19H23N3O/c1-2-9-21-16(4-1)15-22-10-6-19(7-11-22)12-18(13-19)23-17-5-3-8-20-14-17/h1-5,8-9,14,18H,6-7,10-13,15H2
InChIKeyHQIFCIQMPJCELK-UHFFFAOYSA-N
XLogP3.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane (CID 97451291) is 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane is c1ccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)nc1.
What is the InChIKey of 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
The InChIKey is HQIFCIQMPJCELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-9-21-16(4-1)15-22-10-6-19(7-11-22)12-18(13-19)23-17-5-3-8-20-14-17/h1-5,8-9,14,18H,6-7,10-13,15H2.
What are the key properties of 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane has a molecular weight of 309.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97451291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).