3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene

C17H12N2O — CID 14316939

IUPAC3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene
SMILESC1=CC=C2CC(=C1)C=Cc1noc(-c3ccncc3)c12
InChIInChI=1S/C17H12N2O/c1-2-4-14-11-12(3-1)5-6-15-16(14)17(20-19-15)13-7-9-18-10-8-13/h1-10H,11H2
InChIKeyYTULUVRITLDSSI-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.03
Rot. Bonds1

About 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene

3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene (PubChem CID 14316939) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene.

Molecular Properties

Compound Name3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene
PubChem CID14316939
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene
SMILESC1=CC=C2CC(=C1)C=Cc1noc(-c3ccncc3)c12
InChIInChI=1S/C17H12N2O/c1-2-4-14-11-12(3-1)5-6-15-16(14)17(20-19-15)13-7-9-18-10-8-13/h1-10H,11H2
InChIKeyYTULUVRITLDSSI-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene?
The IUPAC name of 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene (CID 14316939) is 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene.
What is the SMILES notation for 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene?
The canonical SMILES for 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene is C1=CC=C2CC(=C1)C=Cc1noc(-c3ccncc3)c12.
What is the InChIKey of 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene?
The InChIKey is YTULUVRITLDSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-2-4-14-11-12(3-1)5-6-15-16(14)17(20-19-15)13-7-9-18-10-8-13/h1-10H,11H2.
What are the key properties of 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene?
3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene has a molecular weight of 260.30 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-4-oxa-5-azatricyclo[7.4.1.02,6]tetradeca-1(13),2,5,7,9,11-hexaene is sourced from PubChem (CID 14316939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).