6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine

C16H26N2O2 — CID 59536635

IUPAC6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
SMILESCOc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m0/s1
InChIKeySNNRWIBSGBMYRF-ZFWWWQNUSA-N
MW278.40 g/mol
LogP2.80
Rot. Bonds6

About 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine

6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine (PubChem CID 59536635) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
PubChem CID59536635
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
SMILESCOc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m0/s1
InChIKeySNNRWIBSGBMYRF-ZFWWWQNUSA-N
XLogP2.80
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pozanicline
CID 178052
6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3R)-pyrrolidin-3-yl]butoxy]pyridine
CID 73347369
2,3-dihydroxybutanedioic acid;6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
CID 73348886
6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3R)-pyrrolidin-3-yl]butoxy]pyridine
CID 73348887
6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
CID 73356510
(R)-2-Methyl-3-(2-pyrrolidinylmethoxy)pyridine
CID 127922
Barucainide
CID 146795
(1S,3S,5S)-3-[(6-methyl-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride
CID 156010775
(1S,3S,5S)-3-[(6-methoxy-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride
CID 156011575
(1R,3S,5R)-3-[(6-methyl-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride
CID 156015409
ABT-089 dihydrochloride
CID 23729426
4-Methyl-5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pentan-2-ol
CID 92044533

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine?
The IUPAC name of 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine (CID 59536635) is 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine.
What is the SMILES notation for 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine?
The canonical SMILES for 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine is COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine?
The InChIKey is SNNRWIBSGBMYRF-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine?
6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine has a molecular weight of 278.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine is sourced from PubChem (CID 59536635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).