1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride

C22H21Cl3N3Nd — CID 173244518

IUPAC1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
SMILESC/C(=N\c1ccccc1)c1cc(C)cc(/C(C)=N/c2ccccc2)n1.[Cl-].[Cl-].[Cl-].[Nd+3]
InChIInChI=1S/C22H21N3.3ClH.Nd/c1-16-14-21(17(2)23-19-10-6-4-7-11-19)25-22(15-16)18(3)24-20-12-8-5-9-13-20;;;;/h4-15H,1-3H3;3*1H;/q;;;;+3/p-3/b23-17+,24-18+;;;;
InChIKeyGKAYICKUNNUHOJ-RZLRLKFYSA-K
MW578.03 g/mol
LogP-3.32
Rot. Bonds4

About 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride

1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride (PubChem CID 173244518) has the molecular formula C22H21Cl3N3Nd and a molecular weight of 578.03 g/mol. Its IUPAC name is 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride.

Molecular Properties

Compound Name1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
PubChem CID173244518
Molecular FormulaC22H21Cl3N3Nd
Molecular Weight578.03 g/mol
Exact Mass573.99
IUPAC Name1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
SMILESC/C(=N\c1ccccc1)c1cc(C)cc(/C(C)=N/c2ccccc2)n1.[Cl-].[Cl-].[Cl-].[Nd+3]
InChIInChI=1S/C22H21N3.3ClH.Nd/c1-16-14-21(17(2)23-19-10-6-4-7-11-19)25-22(15-16)18(3)24-20-12-8-5-9-13-20;;;;/h4-15H,1-3H3;3*1H;/q;;;;+3/p-3/b23-17+,24-18+;;;;
InChIKeyGKAYICKUNNUHOJ-RZLRLKFYSA-K
XLogP-3.32
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.03
LogP ≤ 5-3.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cobalt(3+);1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;trichloride
CID 173244755
1-[4-chloro-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;vanadium;trichloride
CID 173243751
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
CID 173244874
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244594
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 177189173
cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride
CID 173243944
N-(2,6-dipropylphenyl)-1-[6-[N-(2,6-dipropylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 173243133
acetonitrile;dichlororuthenium;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine
CID 139238297
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;vanadium;trichloride
CID 173243756
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(3+);trichloride
CID 173243949

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride?
The IUPAC name of 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride (CID 173244518) is 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride.
What is the SMILES notation for 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride?
The canonical SMILES for 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride is C/C(=N\c1ccccc1)c1cc(C)cc(/C(C)=N/c2ccccc2)n1.[Cl-].[Cl-].[Cl-].[Nd+3].
What is the InChIKey of 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride?
The InChIKey is GKAYICKUNNUHOJ-RZLRLKFYSA-K. The full InChI is InChI=1S/C22H21N3.3ClH.Nd/c1-16-14-21(17(2)23-19-10-6-4-7-11-19)25-22(15-16)18(3)24-20-12-8-5-9-13-20;;;;/h4-15H,1-3H3;3*1H;/q;;;;+3/p-3/b23-17+,24-18+;;;;.
What are the key properties of 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride?
1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride has a molecular weight of 578.03 g/mol, XLogP of -3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride is sourced from PubChem (CID 173244518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).