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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).