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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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).