2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine

C21H23N3 — CID 175722818

IUPAC2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
SMILESc1ccc(CCC(CCc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C21H23N3/c1-4-14-22-19(7-1)12-10-18(17-21-9-3-6-16-24-21)11-13-20-8-2-5-15-23-20/h1-9,14-16,18H,10-13,17H2
InChIKeyHZDUVLMPHKDVEL-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.30
Rot. Bonds8

About 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine

2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine (PubChem CID 175722818) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine.

Molecular Properties

Compound Name2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
PubChem CID175722818
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
SMILESc1ccc(CCC(CCc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C21H23N3/c1-4-14-22-19(7-1)12-10-18(17-21-9-3-6-16-24-21)11-13-20-8-2-5-15-23-20/h1-9,14-16,18H,10-13,17H2
InChIKeyHZDUVLMPHKDVEL-UHFFFAOYSA-N
XLogP4.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-(2,7-dimethyl-10-pyridin-2-yldecyl)pyridine
CID 163557685
2-(4-methyl-2-propylpentyl)pyridine
CID 57227935
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline
CID 154714167
4-pyridin-2-ylbutane-1,1-dithiol
CID 175139494
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
2-(2-fluoroethyl)pyridine
CID 23246235
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-methoxy-4-pyridin-2-ylbutan-1-ol
CID 145217411
N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine
CID 116931877

Frequently Asked Questions

What is the IUPAC name of 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine?
The IUPAC name of 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine (CID 175722818) is 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine.
What is the SMILES notation for 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine?
The canonical SMILES for 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine is c1ccc(CCC(CCc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine?
The InChIKey is HZDUVLMPHKDVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-4-14-22-19(7-1)12-10-18(17-21-9-3-6-16-24-21)11-13-20-8-2-5-15-23-20/h1-9,14-16,18H,10-13,17H2.
What are the key properties of 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine?
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine has a molecular weight of 317.44 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine is sourced from PubChem (CID 175722818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).