2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine

C21H22N2O2 — CID 57042062

IUPAC2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine
SMILESCOc1ccc(OC)c(C(Cc2cccnc2)Cc2ccccn2)c1
InChIInChI=1S/C21H22N2O2/c1-24-19-8-9-21(25-2)20(14-19)17(12-16-6-5-10-22-15-16)13-18-7-3-4-11-23-18/h3-11,14-15,17H,12-13H2,1-2H3
InChIKeyCCTAUKQJUQXIHN-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.06
Rot. Bonds7

About 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine

2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine (PubChem CID 57042062) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine
PubChem CID57042062
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine
SMILESCOc1ccc(OC)c(C(Cc2cccnc2)Cc2ccccn2)c1
InChIInChI=1S/C21H22N2O2/c1-24-19-8-9-21(25-2)20(14-19)17(12-16-6-5-10-22-15-16)13-18-7-3-4-11-23-18/h3-11,14-15,17H,12-13H2,1-2H3
InChIKeyCCTAUKQJUQXIHN-UHFFFAOYSA-N
XLogP4.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
2-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974822
1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
CID 86186012
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
N-(2,5-dimethoxyphenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110422839
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105096059

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine (CID 57042062) is 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine is COc1ccc(OC)c(C(Cc2cccnc2)Cc2ccccn2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine?
The InChIKey is CCTAUKQJUQXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-24-19-8-9-21(25-2)20(14-19)17(12-16-6-5-10-22-15-16)13-18-7-3-4-11-23-18/h3-11,14-15,17H,12-13H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine?
2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine has a molecular weight of 334.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine is sourced from PubChem (CID 57042062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).