3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine

C23H19N3O3S — CID 24760483

IUPAC3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2ncccc2OC(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C23H19N3O3S/c1-30(27,28)20-10-8-17(9-11-20)22-21(7-4-14-26-22)29-23(18-5-2-12-24-15-18)19-6-3-13-25-16-19/h2-16,23H,1H3
InChIKeyWVHFKPBMWSLJOU-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.11
Rot. Bonds6

About 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine

3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine (PubChem CID 24760483) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine
PubChem CID24760483
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2ncccc2OC(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C23H19N3O3S/c1-30(27,28)20-10-8-17(9-11-20)22-21(7-4-14-26-22)29-23(18-5-2-12-24-15-18)19-6-3-13-25-16-19/h2-16,23H,1H3
InChIKeyWVHFKPBMWSLJOU-UHFFFAOYSA-N
XLogP4.11
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[[2-(6-methylsulfonyl-3-pyridinyl)-3-pyridinyl]oxy]propan-1-ol
CID 10236703
1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine
CID 63238084
2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine
CID 24760405
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
3-methoxy-2-(4-propan-2-ylphenyl)pyridine
CID 135075051
3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
2-benzyl-4-(3-methoxy-2-pyridinyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 141008698
[3-(3-chloro-5-methylsulfonylphenyl)-2-pyridin-3-yl-4-pyridinyl] methanesulfonate
CID 140996109
1-[(4-methylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 94028539
[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74242283
3-[isocyano-(4-methylphenyl)sulfonylmethyl]pyridine
CID 52987637
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281

Frequently Asked Questions

What is the IUPAC name of 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine (CID 24760483) is 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine is CS(=O)(=O)c1ccc(-c2ncccc2OC(c2cccnc2)c2cccnc2)cc1.
What is the InChIKey of 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine?
The InChIKey is WVHFKPBMWSLJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-30(27,28)20-10-8-17(9-11-20)22-21(7-4-14-26-22)29-23(18-5-2-12-24-15-18)19-6-3-13-25-16-19/h2-16,23H,1H3.
What are the key properties of 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine?
3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine has a molecular weight of 417.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 24760483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).