2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine

C19H25N3O2 — CID 153376739

IUPAC2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine
SMILESCOc1ccc(CC2CCN(C(C)c3cccc(OC)n3)C2)cn1
InChIInChI=1S/C19H25N3O2/c1-14(17-5-4-6-19(21-17)24-3)22-10-9-16(13-22)11-15-7-8-18(23-2)20-12-15/h4-8,12,14,16H,9-11,13H2,1-3H3
InChIKeyYKRNLOSOSAPXQT-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.12
Rot. Bonds6

About 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine

2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine (PubChem CID 153376739) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine
PubChem CID153376739
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine
SMILESCOc1ccc(CC2CCN(C(C)c3cccc(OC)n3)C2)cn1
InChIInChI=1S/C19H25N3O2/c1-14(17-5-4-6-19(21-17)24-3)22-10-9-16(13-22)11-15-7-8-18(23-2)20-12-15/h4-8,12,14,16H,9-11,13H2,1-3H3
InChIKeyYKRNLOSOSAPXQT-UHFFFAOYSA-N
XLogP3.12
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-[[(3R)-1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine
CID 146288429
4-[[(3S)-1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine;sulfane
CID 161445999
4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287985
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
tert-butyl (3S)-3-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 161346804
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 93096967
N-[(6-methoxy-3-pyridinyl)methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734238
2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine
CID 125025306
2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 171999952
N-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114937512
2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 86050913

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine (CID 153376739) is 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine is COc1ccc(CC2CCN(C(C)c3cccc(OC)n3)C2)cn1.
What is the InChIKey of 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is YKRNLOSOSAPXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(17-5-4-6-19(21-17)24-3)22-10-9-16(13-22)11-15-7-8-18(23-2)20-12-15/h4-8,12,14,16H,9-11,13H2,1-3H3.
What are the key properties of 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine?
2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 327.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 153376739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).