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

C16H26N2O2 — CID 73356510

IUPAC6-methoxy-2-methyl-3-[(1R)-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-DZGCQCFKSA-N
MW278.40 g/mol
LogP2.80
Rot. Bonds6

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

6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine (PubChem CID 73356510) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
PubChem CID73356510
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-methoxy-2-methyl-3-[(1R)-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-DZGCQCFKSA-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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine?
The IUPAC name of 6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine (CID 73356510) is 6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine.
What is the SMILES notation for 6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine?
The canonical SMILES for 6-methoxy-2-methyl-3-[(1R)-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-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine?
The InChIKey is SNNRWIBSGBMYRF-DZGCQCFKSA-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-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine?
6-methoxy-2-methyl-3-[(1R)-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-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine is sourced from PubChem (CID 73356510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).