3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine

C22H24N4O — CID 66830725

IUPAC3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine
SMILESCO[C@@H]1CCN(c2ncccc2CC(c2cccnc2)c2cccnc2)C1
InChIInChI=1S/C22H24N4O/c1-27-20-8-12-26(16-20)22-17(5-4-11-25-22)13-21(18-6-2-9-23-14-18)19-7-3-10-24-15-19/h2-7,9-11,14-15,20-21H,8,12-13,16H2,1H3/t20-/m1/s1
InChIKeyNAYZWRAGSDOAGR-HXUWFJFHSA-N
MW360.46 g/mol
LogP3.47
Rot. Bonds6

About 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine

3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine (PubChem CID 66830725) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine
PubChem CID66830725
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine
SMILESCO[C@@H]1CCN(c2ncccc2CC(c2cccnc2)c2cccnc2)C1
InChIInChI=1S/C22H24N4O/c1-27-20-8-12-26(16-20)22-17(5-4-11-25-22)13-21(18-6-2-9-23-14-18)19-7-3-10-24-15-19/h2-7,9-11,14-15,20-21H,8,12-13,16H2,1H3/t20-/m1/s1
InChIKeyNAYZWRAGSDOAGR-HXUWFJFHSA-N
XLogP3.47
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine?
The IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine (CID 66830725) is 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine is CO[C@@H]1CCN(c2ncccc2CC(c2cccnc2)c2cccnc2)C1.
What is the InChIKey of 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine?
The InChIKey is NAYZWRAGSDOAGR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-20-8-12-26(16-20)22-17(5-4-11-25-22)13-21(18-6-2-9-23-14-18)19-7-3-10-24-15-19/h2-7,9-11,14-15,20-21H,8,12-13,16H2,1H3/t20-/m1/s1.
What are the key properties of 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine?
3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine has a molecular weight of 360.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine is sourced from PubChem (CID 66830725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).