3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C18H22N2O2 — CID 15480238

IUPAC3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOc1ccc(-c2cncc(OC[C@@H]3CCCN3C)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-20-9-3-4-16(20)13-22-18-10-15(11-19-12-18)14-5-7-17(21-2)8-6-14/h5-8,10-12,16H,3-4,9,13H2,1-2H3/t16-/m0/s1
InChIKeyQWPKKGKNBWKYGZ-INIZCTEOSA-N
MW298.39 g/mol
LogP3.23
Rot. Bonds5

About 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 15480238) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID15480238
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOc1ccc(-c2cncc(OC[C@@H]3CCCN3C)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-20-9-3-4-16(20)13-22-18-10-15(11-19-12-18)14-5-7-17(21-2)8-6-14/h5-8,10-12,16H,3-4,9,13H2,1-2H3/t16-/m0/s1
InChIKeyQWPKKGKNBWKYGZ-INIZCTEOSA-N
XLogP3.23
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

PF-07038124
CID 148293990
A-84543
CID 9794141
3-[(2s)-Azetidin-2-Ylmethoxy]-5-[(1s,2r)-2-(2-Methoxyethyl)cyclopropyl]pyridine
CID 56951495
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
(R)-4-(5-(Pyrrolidin-3-ylmethoxy)-2-(p-tolyl)pyridin-3-yl)benzonitrile
CID 72793898
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-(2-methoxyethyl)cyclopropyl]pyridine
CID 56951497
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(3-nitro-phenyl)-pyridine
CID 9843146
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylethynyl-pyridine
CID 10039999
3-Butyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10083372
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-yl]prop-2-yn-1-ol
CID 11230355

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 15480238) is 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is COc1ccc(-c2cncc(OC[C@@H]3CCCN3C)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is QWPKKGKNBWKYGZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20-9-3-4-16(20)13-22-18-10-15(11-19-12-18)14-5-7-17(21-2)8-6-14/h5-8,10-12,16H,3-4,9,13H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 298.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 15480238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).