(1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

C17H19N3O — CID 122186929

IUPAC(1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESCOc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1
InChIInChI=1S/C17H19N3O/c1-21-17-7-11(4-5-19-17)12-6-13(10-18-9-12)15-8-14-2-3-16(15)20-14/h4-7,9-10,14-16,20H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
InChIKeyOHBAZOHOVFYCFY-BZUAXINKSA-N
MW281.36 g/mol
LogP2.76
Rot. Bonds3

About (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

(1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 122186929) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
PubChem CID122186929
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESCOc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1
InChIInChI=1S/C17H19N3O/c1-21-17-7-11(4-5-19-17)12-6-13(10-18-9-12)15-8-14-2-3-16(15)20-14/h4-7,9-10,14-16,20H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
InChIKeyOHBAZOHOVFYCFY-BZUAXINKSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane 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 (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (CID 122186929) is (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is COc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1.
What is the InChIKey of (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is OHBAZOHOVFYCFY-BZUAXINKSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-17-7-11(4-5-19-17)12-6-13(10-18-9-12)15-8-14-2-3-16(15)20-14/h4-7,9-10,14-16,20H,2-3,8H2,1H3/t14-,15-,16-/m1/s1.
What are the key properties of (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
(1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 281.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-[5-(2-methoxy-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 122186929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).