2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine

C11H16N2O — CID 153376594

IUPAC2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
SMILESCc1ccc(O[C@H]2CCN(C)C2)cn1
InChIInChI=1S/C11H16N2O/c1-9-3-4-10(7-12-9)14-11-5-6-13(2)8-11/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m0/s1
InChIKeyKWKVIOAKYKNJCB-NSHDSACASA-N
MW192.26 g/mol
LogP1.47
Rot. Bonds2

About 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine

2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine (PubChem CID 153376594) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
PubChem CID153376594
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
SMILESCc1ccc(O[C@H]2CCN(C)C2)cn1
InChIInChI=1S/C11H16N2O/c1-9-3-4-10(7-12-9)14-11-5-6-13(2)8-11/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m0/s1
InChIKeyKWKVIOAKYKNJCB-NSHDSACASA-N
XLogP1.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pozanicline
CID 178052
Ispronicline
CID 9824145
3-Methoxypyridine
CID 23719
Dianicline
CID 10176764
A-85380
CID 5310969
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-(2-Azetidinylmethoxy)pyridine
CID 1962
3-Butyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10083372
2-Chloro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10263121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine (CID 153376594) is 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine is Cc1ccc(O[C@H]2CCN(C)C2)cn1.
What is the InChIKey of 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine?
The InChIKey is KWKVIOAKYKNJCB-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-3-4-10(7-12-9)14-11-5-6-13(2)8-11/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine?
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine has a molecular weight of 192.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 153376594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).