4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C19H24N4O — CID 97450934

IUPAC4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CC2)CN(c2ccccn2)CCO3)nc1
InChIInChI=1S/C19H24N4O/c1-3-9-20-17(5-1)15-22-11-7-19(8-12-22)16-23(13-14-24-19)18-6-2-4-10-21-18/h1-6,9-10H,7-8,11-16H2
InChIKeyOVLOYDWWGGGGCN-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.35
Rot. Bonds3

About 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97450934) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97450934
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CC2)CN(c2ccccn2)CCO3)nc1
InChIInChI=1S/C19H24N4O/c1-3-9-20-17(5-1)15-22-11-7-19(8-12-22)16-23(13-14-24-19)18-6-2-4-10-21-18/h1-6,9-10H,7-8,11-16H2
InChIKeyOVLOYDWWGGGGCN-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97450934) is 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is c1ccc(CN2CCC3(CC2)CN(c2ccccn2)CCO3)nc1.
What is the InChIKey of 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is OVLOYDWWGGGGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-9-20-17(5-1)15-22-11-7-19(8-12-22)16-23(13-14-24-19)18-6-2-4-10-21-18/h1-6,9-10H,7-8,11-16H2.
What are the key properties of 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 324.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).