3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine

C32H34N4 — CID 58652188

IUPAC3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
SMILESc1cncc(C2CC(c3cccnc3)CC(C3CC(c4cccnc4)CC(c4cccnc4)C3)C2)c1
InChIInChI=1S/C32H34N4/c1-5-23(19-33-9-1)27-13-28(24-6-2-10-34-20-24)16-31(15-27)32-17-29(25-7-3-11-35-21-25)14-30(18-32)26-8-4-12-36-22-26/h1-12,19-22,27-32H,13-18H2
InChIKeyJAOAJYHWRGKFGH-UHFFFAOYSA-N
MW474.65 g/mol
LogP7.30
Rot. Bonds5

About 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine

3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine (PubChem CID 58652188) has the molecular formula C32H34N4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine.

Molecular Properties

Compound Name3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
PubChem CID58652188
Molecular FormulaC32H34N4
Molecular Weight474.65 g/mol
Exact Mass474.28
IUPAC Name3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
SMILESc1cncc(C2CC(c3cccnc3)CC(C3CC(c4cccnc4)CC(c4cccnc4)C3)C2)c1
InChIInChI=1S/C32H34N4/c1-5-23(19-33-9-1)27-13-28(24-6-2-10-34-20-24)16-31(15-27)32-17-29(25-7-3-11-35-21-25)14-30(18-32)26-8-4-12-36-22-26/h1-12,19-22,27-32H,13-18H2
InChIKeyJAOAJYHWRGKFGH-UHFFFAOYSA-N
XLogP7.30
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol
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3-[(2S)-aziridin-2-yl]pyridine
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3-pyrrolidin-3-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine?
The IUPAC name of 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine (CID 58652188) is 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine.
What is the SMILES notation for 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine?
The canonical SMILES for 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine is c1cncc(C2CC(c3cccnc3)CC(C3CC(c4cccnc4)CC(c4cccnc4)C3)C2)c1.
What is the InChIKey of 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine?
The InChIKey is JAOAJYHWRGKFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4/c1-5-23(19-33-9-1)27-13-28(24-6-2-10-34-20-24)16-31(15-27)32-17-29(25-7-3-11-35-21-25)14-30(18-32)26-8-4-12-36-22-26/h1-12,19-22,27-32H,13-18H2.
What are the key properties of 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine?
3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine has a molecular weight of 474.65 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine is sourced from PubChem (CID 58652188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).