N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine

C20H19N2+ — CID 169277721

IUPACN-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine
SMILESCc1ccccc1-c1ccc(/N=C/c2ccccc2)c[n+]1C
InChIInChI=1S/C20H19N2/c1-16-8-6-7-11-19(16)20-13-12-18(15-22(20)2)21-14-17-9-4-3-5-10-17/h3-15H,1-2H3/q+1/b21-14+
InChIKeyBCMHDISORDACAA-KGENOOAVSA-N
MW287.39 g/mol
LogP4.24
Rot. Bonds3

About N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine

N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine (PubChem CID 169277721) has the molecular formula C20H19N2+ and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine
PubChem CID169277721
Molecular FormulaC20H19N2+
Molecular Weight287.39 g/mol
Exact Mass287.15
IUPAC NameN-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine
SMILESCc1ccccc1-c1ccc(/N=C/c2ccccc2)c[n+]1C
InChIInChI=1S/C20H19N2/c1-16-8-6-7-11-19(16)20-13-12-18(15-22(20)2)21-14-17-9-4-3-5-10-17/h3-15H,1-2H3/q+1/b21-14+
InChIKeyBCMHDISORDACAA-KGENOOAVSA-N
XLogP4.24
TPSA16.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine?
The IUPAC name of N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine (CID 169277721) is N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine?
The canonical SMILES for N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine is Cc1ccccc1-c1ccc(/N=C/c2ccccc2)c[n+]1C.
What is the InChIKey of N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine?
The InChIKey is BCMHDISORDACAA-KGENOOAVSA-N. The full InChI is InChI=1S/C20H19N2/c1-16-8-6-7-11-19(16)20-13-12-18(15-22(20)2)21-14-17-9-4-3-5-10-17/h3-15H,1-2H3/q+1/b21-14+.
What are the key properties of N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine?
N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine has a molecular weight of 287.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine is sourced from PubChem (CID 169277721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).