5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine

C14H20ClN3O — CID 139405521

IUPAC5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine
SMILESNc1cc(N2CCC3(CCOCC3)CC2)ncc1Cl
InChIInChI=1S/C14H20ClN3O/c15-11-10-17-13(9-12(11)16)18-5-1-14(2-6-18)3-7-19-8-4-14/h9-10H,1-8H2,(H2,16,17)
InChIKeyIVLBGJCYFZFWAG-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.71
Rot. Bonds1

About 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine

5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine (PubChem CID 139405521) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine
PubChem CID139405521
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine
SMILESNc1cc(N2CCC3(CCOCC3)CC2)ncc1Cl
InChIInChI=1S/C14H20ClN3O/c15-11-10-17-13(9-12(11)16)18-5-1-14(2-6-18)3-7-19-8-4-14/h9-10H,1-8H2,(H2,16,17)
InChIKeyIVLBGJCYFZFWAG-UHFFFAOYSA-N
XLogP2.71
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine?
The IUPAC name of 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine (CID 139405521) is 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine.
What is the SMILES notation for 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine?
The canonical SMILES for 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine is Nc1cc(N2CCC3(CCOCC3)CC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine?
The InChIKey is IVLBGJCYFZFWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-11-10-17-13(9-12(11)16)18-5-1-14(2-6-18)3-7-19-8-4-14/h9-10H,1-8H2,(H2,16,17).
What are the key properties of 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine?
5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine has a molecular weight of 281.79 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine is sourced from PubChem (CID 139405521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).