2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine

C23H23N3 — CID 66829358

IUPAC2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine
SMILESC1=C(c2ncccc2CC(c2cccnc2)c2cccnc2)CCCC1
InChIInChI=1S/C23H23N3/c1-2-7-18(8-3-1)23-19(9-6-14-26-23)15-22(20-10-4-12-24-16-20)21-11-5-13-25-17-21/h4-7,9-14,16-17,22H,1-3,8,15H2
InChIKeyOEGWGVCIGJQUOJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.20
Rot. Bonds5

About 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine

2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine (PubChem CID 66829358) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine
PubChem CID66829358
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine
SMILESC1=C(c2ncccc2CC(c2cccnc2)c2cccnc2)CCCC1
InChIInChI=1S/C23H23N3/c1-2-7-18(8-3-1)23-19(9-6-14-26-23)15-22(20-10-4-12-24-16-20)21-11-5-13-25-17-21/h4-7,9-14,16-17,22H,1-3,8,15H2
InChIKeyOEGWGVCIGJQUOJ-UHFFFAOYSA-N
XLogP5.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
2-(4-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829368
3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
CID 66829446
3-(2,2-dipyridin-3-ylethyl)-N-ethyl-N-pyridin-3-ylpyridin-2-amine
CID 16662535
N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine
CID 16662857
3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine
CID 67265206
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 16662379
4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine
CID 70671742
3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine
CID 66830725
(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine
CID 16662670
2,2-dipyridin-3-ylethanol
CID 57450821

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine?
The IUPAC name of 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine (CID 66829358) is 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine?
The canonical SMILES for 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine is C1=C(c2ncccc2CC(c2cccnc2)c2cccnc2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine?
The InChIKey is OEGWGVCIGJQUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-2-7-18(8-3-1)23-19(9-6-14-26-23)15-22(20-10-4-12-24-16-20)21-11-5-13-25-17-21/h4-7,9-14,16-17,22H,1-3,8,15H2.
What are the key properties of 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine?
2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine has a molecular weight of 341.46 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine is sourced from PubChem (CID 66829358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).