2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine

C22H31N3O3 — CID 153376604

IUPAC2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine
SMILESCOc1cc(C[C@H]2CN(C(C)c3ccc(OC)c(OC)n3)CC2C)cc(C)n1
InChIInChI=1S/C22H31N3O3/c1-14-12-25(16(3)19-7-8-20(26-4)22(24-19)28-6)13-18(14)10-17-9-15(2)23-21(11-17)27-5/h7-9,11,14,16,18H,10,12-13H2,1-6H3/t14?,16?,18-/m0/s1
InChIKeyCSSBGDGTZWOCOZ-PVARCSIZSA-N
MW385.51 g/mol
LogP3.68
Rot. Bonds7

About 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine

2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine (PubChem CID 153376604) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine
PubChem CID153376604
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine
SMILESCOc1cc(C[C@H]2CN(C(C)c3ccc(OC)c(OC)n3)CC2C)cc(C)n1
InChIInChI=1S/C22H31N3O3/c1-14-12-25(16(3)19-7-8-20(26-4)22(24-19)28-6)13-18(14)10-17-9-15(2)23-21(11-17)27-5/h7-9,11,14,16,18H,10,12-13H2,1-6H3/t14?,16?,18-/m0/s1
InChIKeyCSSBGDGTZWOCOZ-PVARCSIZSA-N
XLogP3.68
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285034
6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166727421
2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine
CID 153376693
4-[[(3S)-1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine;sulfane
CID 161445999
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146283795
4-[[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 163887763
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine
CID 103575485
6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283838
N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
CID 162468301
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
N-[1-(dimethylsulfamoyl)-3-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]pyrazol-5-yl]acetamide
CID 146287891
5-[1-[3-[(2-methoxy-6-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285107

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine?
The IUPAC name of 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine (CID 153376604) is 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine?
The canonical SMILES for 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine is COc1cc(C[C@H]2CN(C(C)c3ccc(OC)c(OC)n3)CC2C)cc(C)n1.
What is the InChIKey of 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine?
The InChIKey is CSSBGDGTZWOCOZ-PVARCSIZSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-14-12-25(16(3)19-7-8-20(26-4)22(24-19)28-6)13-18(14)10-17-9-15(2)23-21(11-17)27-5/h7-9,11,14,16,18H,10,12-13H2,1-6H3/t14?,16?,18-/m0/s1.
What are the key properties of 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine?
2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine has a molecular weight of 385.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-[1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 153376604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).