N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride

C20H19Cl3N5Nd — CID 173244129

IUPACN-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride
SMILESCc1cc(C=NNc2ccccc2)nc(C=NNc2ccccc2)c1.[Cl-].[Cl-].[Cl-].[Nd+3]
InChIInChI=1S/C20H19N5.3ClH.Nd/c1-16-12-19(14-21-24-17-8-4-2-5-9-17)23-20(13-16)15-22-25-18-10-6-3-7-11-18;;;;/h2-15,24-25H,1H3;3*1H;/q;;;;+3/p-3
InChIKeyQYBDBZDHEFTJRK-UHFFFAOYSA-K
MW580.01 g/mol
LogP-4.71
Rot. Bonds6

About N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride

N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride (PubChem CID 173244129) has the molecular formula C20H19Cl3N5Nd and a molecular weight of 580.01 g/mol. Its IUPAC name is N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride.

Molecular Properties

Compound NameN-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride
PubChem CID173244129
Molecular FormulaC20H19Cl3N5Nd
Molecular Weight580.01 g/mol
Exact Mass575.98
IUPAC NameN-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride
SMILESCc1cc(C=NNc2ccccc2)nc(C=NNc2ccccc2)c1.[Cl-].[Cl-].[Cl-].[Nd+3]
InChIInChI=1S/C20H19N5.3ClH.Nd/c1-16-12-19(14-21-24-17-8-4-2-5-9-17)23-20(13-16)15-22-25-18-10-6-3-7-11-18;;;;/h2-15,24-25H,1H3;3*1H;/q;;;;+3/p-3
InChIKeyQYBDBZDHEFTJRK-UHFFFAOYSA-K
XLogP-4.71
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.01
LogP ≤ 5-4.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

iron(2+);1-[4-methyl-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;dichloride
CID 70013505
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169383558
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one
CID 135455303
N-(quinolin-8-ylmethylideneamino)aniline
CID 169381691
N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
CID 169382287
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride?
The IUPAC name of N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride (CID 173244129) is N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride.
What is the SMILES notation for N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride?
The canonical SMILES for N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride is Cc1cc(C=NNc2ccccc2)nc(C=NNc2ccccc2)c1.[Cl-].[Cl-].[Cl-].[Nd+3].
What is the InChIKey of N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride?
The InChIKey is QYBDBZDHEFTJRK-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H19N5.3ClH.Nd/c1-16-12-19(14-21-24-17-8-4-2-5-9-17)23-20(13-16)15-22-25-18-10-6-3-7-11-18;;;;/h2-15,24-25H,1H3;3*1H;/q;;;;+3/p-3.
What are the key properties of N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride?
N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride has a molecular weight of 580.01 g/mol, XLogP of -4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride is sourced from PubChem (CID 173244129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).