4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine

C20H24N2 — CID 12034628

IUPAC4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine
SMILESC=CCCCc1ccnc(-c2cc(CCCC=C)ccn2)c1
InChIInChI=1S/C20H24N2/c1-3-5-7-9-17-11-13-21-19(15-17)20-16-18(12-14-22-20)10-8-6-4-2/h3-4,11-16H,1-2,5-10H2
InChIKeyKMGYTNOKXFMPSI-UHFFFAOYSA-N
MW292.43 g/mol
LogP5.16
Rot. Bonds9

About 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine

4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine (PubChem CID 12034628) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine
PubChem CID12034628
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine
SMILESC=CCCCc1ccnc(-c2cc(CCCC=C)ccn2)c1
InChIInChI=1S/C20H24N2/c1-3-5-7-9-17-11-13-21-19(15-17)20-16-18(12-14-22-20)10-8-6-4-2/h3-4,11-16H,1-2,5-10H2
InChIKeyKMGYTNOKXFMPSI-UHFFFAOYSA-N
XLogP5.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine?
The IUPAC name of 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine (CID 12034628) is 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine is C=CCCCc1ccnc(-c2cc(CCCC=C)ccn2)c1.
What is the InChIKey of 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine?
The InChIKey is KMGYTNOKXFMPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-5-7-9-17-11-13-21-19(15-17)20-16-18(12-14-22-20)10-8-6-4-2/h3-4,11-16H,1-2,5-10H2.
What are the key properties of 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine?
4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine has a molecular weight of 292.43 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine is sourced from PubChem (CID 12034628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).