3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine

C23H26N4O — CID 59439163

IUPAC3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine
SMILESc1ccc(COc2ccc(CCc3ccc(CN4CCCC4)cc3)nn2)nc1
InChIInChI=1S/C23H26N4O/c1-2-14-24-22(5-1)18-28-23-13-12-21(25-26-23)11-10-19-6-8-20(9-7-19)17-27-15-3-4-16-27/h1-2,5-9,12-14H,3-4,10-11,15-18H2
InChIKeyVDOSOZWWSAAGLC-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.83
Rot. Bonds8

About 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine

3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine (PubChem CID 59439163) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine.

Molecular Properties

Compound Name3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine
PubChem CID59439163
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine
SMILESc1ccc(COc2ccc(CCc3ccc(CN4CCCC4)cc3)nn2)nc1
InChIInChI=1S/C23H26N4O/c1-2-14-24-22(5-1)18-28-23-13-12-21(25-26-23)11-10-19-6-8-20(9-7-19)17-27-15-3-4-16-27/h1-2,5-9,12-14H,3-4,10-11,15-18H2
InChIKeyVDOSOZWWSAAGLC-UHFFFAOYSA-N
XLogP3.83
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine
CID 59439101
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 55684128
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
2-(2-pyrrolidin-1-ylethoxymethyl)pyridine
CID 163407284
3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
CID 61269892
3-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-6-phenylmethoxypyridazine
CID 59439167
5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline
CID 4702087
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine?
The IUPAC name of 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine (CID 59439163) is 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine.
What is the SMILES notation for 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine?
The canonical SMILES for 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine is c1ccc(COc2ccc(CCc3ccc(CN4CCCC4)cc3)nn2)nc1.
What is the InChIKey of 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine?
The InChIKey is VDOSOZWWSAAGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-14-24-22(5-1)18-28-23-13-12-21(25-26-23)11-10-19-6-8-20(9-7-19)17-27-15-3-4-16-27/h1-2,5-9,12-14H,3-4,10-11,15-18H2.
What are the key properties of 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine?
3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine has a molecular weight of 374.49 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine is sourced from PubChem (CID 59439163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).