4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine

C25H26N4 — CID 161134187

IUPAC4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
SMILESc1cc(CCCc2ccncc2)ccn1.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/C13H14N2.C12H12N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h4-11H,1-3H2;3-10H,1-2H2
InChIKeyUMOSIOALHZTVAQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.91
Rot. Bonds7

About 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine

4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine (PubChem CID 161134187) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine.

Molecular Properties

Compound Name4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
PubChem CID161134187
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
SMILESc1cc(CCCc2ccncc2)ccn1.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/C13H14N2.C12H12N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h4-11H,1-3H2;3-10H,1-2H2
InChIKeyUMOSIOALHZTVAQ-UHFFFAOYSA-N
XLogP4.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-pyridin-4-ylbutylazanium chloride
CID 23273592
4-(8-pyridin-4-yloct-4-enyl)pyridine
CID 67224624
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine
CID 58825419
5-pyridin-4-ylpentylazanium chloride
CID 23273749
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-(6-bromohexyl)pyridine
CID 10633887
CID 24746170
CID 24746170
4-(4,4-difluorobutyl)pyridine
CID 141084245
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine?
The IUPAC name of 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine (CID 161134187) is 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine.
What is the SMILES notation for 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine?
The canonical SMILES for 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine is c1cc(CCCc2ccncc2)ccn1.c1cc(CCc2ccncc2)ccn1.
What is the InChIKey of 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine?
The InChIKey is UMOSIOALHZTVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C12H12N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h4-11H,1-3H2;3-10H,1-2H2.
What are the key properties of 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine?
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine has a molecular weight of 382.51 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine is sourced from PubChem (CID 161134187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).