2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine

C19H23N3 — CID 15166843

IUPAC2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine
SMILESC1=C(c2ccccn2)CCN(CCCCc2ccncc2)C1
InChIInChI=1S/C19H23N3/c1-3-11-21-19(6-1)18-9-15-22(16-10-18)14-4-2-5-17-7-12-20-13-8-17/h1,3,6-9,11-13H,2,4-5,10,14-16H2
InChIKeyJRSQWUYARZZTAX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.59
Rot. Bonds6

About 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine

2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine (PubChem CID 15166843) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine
PubChem CID15166843
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine
SMILESC1=C(c2ccccn2)CCN(CCCCc2ccncc2)C1
InChIInChI=1S/C19H23N3/c1-3-11-21-19(6-1)18-9-15-22(16-10-18)14-4-2-5-17-7-12-20-13-8-17/h1,3,6-9,11-13H,2,4-5,10,14-16H2
InChIKeyJRSQWUYARZZTAX-UHFFFAOYSA-N
XLogP3.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine?
The IUPAC name of 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine (CID 15166843) is 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine.
What is the SMILES notation for 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine?
The canonical SMILES for 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine is C1=C(c2ccccn2)CCN(CCCCc2ccncc2)C1.
What is the InChIKey of 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine?
The InChIKey is JRSQWUYARZZTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-11-21-19(6-1)18-9-15-22(16-10-18)14-4-2-5-17-7-12-20-13-8-17/h1,3,6-9,11-13H,2,4-5,10,14-16H2.
What are the key properties of 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine?
2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine has a molecular weight of 293.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-pyridin-4-ylbutyl)-3,6-dihydro-2H-pyridin-4-yl]pyridine is sourced from PubChem (CID 15166843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).