3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine

C25H20N2O — CID 15678631

IUPAC3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine
SMILESc1cncc(CC2(Cc3cccnc3)c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C25H20N2O/c1-3-11-23-21(9-1)25(15-19-7-5-13-26-17-19,16-20-8-6-14-27-18-20)22-10-2-4-12-24(22)28-23/h1-14,17-18H,15-16H2
InChIKeyLWEYURVDQDRGNV-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.35
Rot. Bonds4

About 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine

3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine (PubChem CID 15678631) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine
PubChem CID15678631
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine
SMILESc1cncc(CC2(Cc3cccnc3)c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C25H20N2O/c1-3-11-23-21(9-1)25(15-19-7-5-13-26-17-19,16-20-8-6-14-27-18-20)22-10-2-4-12-24(22)28-23/h1-14,17-18H,15-16H2
InChIKeyLWEYURVDQDRGNV-UHFFFAOYSA-N
XLogP5.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine?
The IUPAC name of 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine (CID 15678631) is 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine.
What is the SMILES notation for 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine?
The canonical SMILES for 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine is c1cncc(CC2(Cc3cccnc3)c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine?
The InChIKey is LWEYURVDQDRGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-3-11-23-21(9-1)25(15-19-7-5-13-26-17-19,16-20-8-6-14-27-18-20)22-10-2-4-12-24(22)28-23/h1-14,17-18H,15-16H2.
What are the key properties of 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine?
3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine has a molecular weight of 364.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[9-(pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine is sourced from PubChem (CID 15678631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).