2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine

C25H26N4+2 — CID 100986621

IUPAC2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine
SMILESCCC[n+]1ccc(-c2cc[n+](Cc3ccnc(-c4cc(C)ccn4)c3)cc2)cc1
InChIInChI=1S/C25H26N4/c1-3-12-28-13-6-22(7-14-28)23-8-15-29(16-9-23)19-21-5-11-27-25(18-21)24-17-20(2)4-10-26-24/h4-11,13-18H,3,12,19H2,1-2H3/q+2
InChIKeyJMNBDYQRUWAXLF-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.15
Rot. Bonds6

About 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine

2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine (PubChem CID 100986621) has the molecular formula C25H26N4+2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine
PubChem CID100986621
Molecular FormulaC25H26N4+2
Molecular Weight382.51 g/mol
Exact Mass382.21
IUPAC Name2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine
SMILESCCC[n+]1ccc(-c2cc[n+](Cc3ccnc(-c4cc(C)ccn4)c3)cc2)cc1
InChIInChI=1S/C25H26N4/c1-3-12-28-13-6-22(7-14-28)23-8-15-29(16-9-23)19-21-5-11-27-25(18-21)24-17-20(2)4-10-26-24/h4-11,13-18H,3,12,19H2,1-2H3/q+2
InChIKeyJMNBDYQRUWAXLF-UHFFFAOYSA-N
XLogP4.15
TPSA33.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine with MolForge

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Related Compounds

3-methyl-4-[3-methyl-1-[3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridin-1-ium
CID 101197284
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
2-[4-(bromomethyl)-2-pyridinyl]-4-methylpyridine;2-(4-ethyl-2-pyridinyl)-4-methylpyridine
CID 159642899
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol
CID 14324169
4-methyl-1-propylpyridin-1-ium iodide
CID 15904240
iron(3+);tris(2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethyl)pyridine)
CID 175883888
(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol
CID 86336472
ethane;2-(4-fluoro-2-pyridinyl)-4-methylpyridine
CID 170630343
1-(2-bromoethyl)-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
CID 15596913
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine (CID 100986621) is 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine is CCC[n+]1ccc(-c2cc[n+](Cc3ccnc(-c4cc(C)ccn4)c3)cc2)cc1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine?
The InChIKey is JMNBDYQRUWAXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-3-12-28-13-6-22(7-14-28)23-8-15-29(16-9-23)19-21-5-11-27-25(18-21)24-17-20(2)4-10-26-24/h4-11,13-18H,3,12,19H2,1-2H3/q+2.
What are the key properties of 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine?
2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine has a molecular weight of 382.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine is sourced from PubChem (CID 100986621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).