(1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

C17H19N3O — CID 122186933

IUPAC(1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESCOc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1
InChIInChI=1S/C17H19N3O/c1-21-17-5-2-11(10-19-17)12-6-13(9-18-8-12)15-7-14-3-4-16(15)20-14/h2,5-6,8-10,14-16,20H,3-4,7H2,1H3/t14-,15-,16-/m1/s1
InChIKeyMTXSKMIYEOQGMK-BZUAXINKSA-N
MW281.36 g/mol
LogP2.76
Rot. Bonds3

About (1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

(1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 122186933) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
PubChem CID122186933
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESCOc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1
InChIInChI=1S/C17H19N3O/c1-21-17-5-2-11(10-19-17)12-6-13(9-18-8-12)15-7-14-3-4-16(15)20-14/h2,5-6,8-10,14-16,20H,3-4,7H2,1H3/t14-,15-,16-/m1/s1
InChIKeyMTXSKMIYEOQGMK-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane with MolForge

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Launch Full Analysis

Related Compounds

2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
3-Methyl-4-(piperidin-4-yl)-2-{[3-(trifluoromethyl)phenyl]methoxy}pyridine
CID 25263328
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
3-(Piperidin-4-yl)-2-(o-tolyloxy)pyridine
CID 46230706
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319
2-[6-Fluoro-5-(4-methoxyphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 44393416
Rac-2-(6-fluoro-5-(3-methoxyphenyl)pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane hydrochloride
CID 44393539
2-[6-Chloro-5-(4-methoxyphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 44404277

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (CID 122186933) is (1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is COc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1.
What is the InChIKey of (1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is MTXSKMIYEOQGMK-BZUAXINKSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-17-5-2-11(10-19-17)12-6-13(9-18-8-12)15-7-14-3-4-16(15)20-14/h2,5-6,8-10,14-16,20H,3-4,7H2,1H3/t14-,15-,16-/m1/s1.
What are the key properties of (1R,2R,4R)-2-[5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
(1R,2R,4R)-2-[5-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 122186933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).