3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine

C21H20N2O2 — CID 68612157

IUPAC3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine
SMILESc1ccc(COc2cncc([C@H]3C[C@@H]3COc3cccnc3)c2)cc1
InChIInChI=1S/C21H20N2O2/c1-2-5-16(6-3-1)14-24-20-9-17(11-23-13-20)21-10-18(21)15-25-19-7-4-8-22-12-19/h1-9,11-13,18,21H,10,14-15H2/t18-,21-/m1/s1
InChIKeyFAIMPQQZIITCAO-WIYYLYMNSA-N
MW332.40 g/mol
LogP4.24
Rot. Bonds7

About 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine

3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine (PubChem CID 68612157) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine
PubChem CID68612157
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine
SMILESc1ccc(COc2cncc([C@H]3C[C@@H]3COc3cccnc3)c2)cc1
InChIInChI=1S/C21H20N2O2/c1-2-5-16(6-3-1)14-24-20-9-17(11-23-13-20)21-10-18(21)15-25-19-7-4-8-22-12-19/h1-9,11-13,18,21H,10,14-15H2/t18-,21-/m1/s1
InChIKeyFAIMPQQZIITCAO-WIYYLYMNSA-N
XLogP4.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]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-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine?
The IUPAC name of 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine (CID 68612157) is 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine.
What is the SMILES notation for 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine?
The canonical SMILES for 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine is c1ccc(COc2cncc([C@H]3C[C@@H]3COc3cccnc3)c2)cc1.
What is the InChIKey of 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine?
The InChIKey is FAIMPQQZIITCAO-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-5-16(6-3-1)14-24-20-9-17(11-23-13-20)21-10-18(21)15-25-19-7-4-8-22-12-19/h1-9,11-13,18,21H,10,14-15H2/t18-,21-/m1/s1.
What are the key properties of 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine?
3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine has a molecular weight of 332.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine is sourced from PubChem (CID 68612157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).