2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

C17H20N2O — CID 66752347

IUPAC2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESCc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)cn1
InChIInChI=1S/C17H20N2O/c1-13-7-8-16(12-19-13)20-17(15-9-10-18-11-15)14-5-3-2-4-6-14/h2-8,12,15,17-18H,9-11H2,1H3/t15-,17-/m0/s1
InChIKeySODMJGMXMOBUDG-RDJZCZTQSA-N
MW268.36 g/mol
LogP3.12
Rot. Bonds4

About 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (PubChem CID 66752347) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
PubChem CID66752347
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESCc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)cn1
InChIInChI=1S/C17H20N2O/c1-13-7-8-16(12-19-13)20-17(15-9-10-18-11-15)14-5-3-2-4-6-14/h2-8,12,15,17-18H,9-11H2,1H3/t15-,17-/m0/s1
InChIKeySODMJGMXMOBUDG-RDJZCZTQSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752597
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
5-bromo-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752109
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 77226165
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 59544002
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
3,5-dichloro-2-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752614
3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753028
2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752580
3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752922
3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine
CID 66753085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (CID 66752347) is 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is Cc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)cn1.
What is the InChIKey of 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The InChIKey is SODMJGMXMOBUDG-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-7-8-16(12-19-13)20-17(15-9-10-18-11-15)14-5-3-2-4-6-14/h2-8,12,15,17-18H,9-11H2,1H3/t15-,17-/m0/s1.
What are the key properties of 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine has a molecular weight of 268.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 66752347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).