1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide

C12H15I2N3 — CID 71774165

IUPAC1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide
SMILESC[n+]1ccc(Nc2cc[n+](C)cc2)cc1.[I-].[I-]
InChIInChI=1S/C12H14N3.2HI/c1-14-7-3-11(4-8-14)13-12-5-9-15(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+1;;/p-1
InChIKeyUGWWSFYNOMKPLO-UHFFFAOYSA-M
MW455.08 g/mol
LogP-4.91
Rot. Bonds2

About 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide

1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide (PubChem CID 71774165) has the molecular formula C12H15I2N3 and a molecular weight of 455.08 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide.

Molecular Properties

Compound Name1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide
PubChem CID71774165
Molecular FormulaC12H15I2N3
Molecular Weight455.08 g/mol
Exact Mass454.94
IUPAC Name1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide
SMILESC[n+]1ccc(Nc2cc[n+](C)cc2)cc1.[I-].[I-]
InChIInChI=1S/C12H14N3.2HI/c1-14-7-3-11(4-8-14)13-12-5-9-15(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+1;;/p-1
InChIKeyUGWWSFYNOMKPLO-UHFFFAOYSA-M
XLogP-4.91
TPSA19.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.08
LogP ≤ 5-4.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Aminopyridine
CID 1727
3,4-Diaminopyridine
CID 5918
Betahistine
CID 2366
4-(Dimethylamino)pyridine
CID 14284
Bis(2-pyridylmethyl)amine
CID 73759
1,2-Di(2-pyridyl)ethylene
CID 5374802
N-Pyridin-4-ylacetamide
CID 21288
Bis[(3-pyridyl)methyl]amine
CID 74257
3-Methyl-4-pyridinamine
CID 74811
4-(2-Phenyldiazenyl)pyridine
CID 17385
1-(4-Pyridyl)piperazine
CID 70517
4-Pyrrolidinopyridine
CID 75567

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide?
The IUPAC name of 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide (CID 71774165) is 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide.
What is the SMILES notation for 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide?
The canonical SMILES for 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide is C[n+]1ccc(Nc2cc[n+](C)cc2)cc1.[I-].[I-].
What is the InChIKey of 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide?
The InChIKey is UGWWSFYNOMKPLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N3.2HI/c1-14-7-3-11(4-8-14)13-12-5-9-15(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+1;;/p-1.
What are the key properties of 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide?
1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide has a molecular weight of 455.08 g/mol, XLogP of -4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide is sourced from PubChem (CID 71774165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).