1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine

C22H21N3 — CID 177189173

IUPAC1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2C)n1
InChIInChI=1S/C22H21N3/c1-16-10-7-8-13-20(16)24-18(3)22-15-9-14-21(25-22)17(2)23-19-11-5-4-6-12-19/h4-15H,1-3H3/b23-17+,24-18+
InChIKeyPZEIGMYOXKLODK-GJHDBBOXSA-N
MW327.43 g/mol
LogP5.67
Rot. Bonds4

About 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine

1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine (PubChem CID 177189173) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine.

Molecular Properties

Compound Name1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
PubChem CID177189173
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2C)n1
InChIInChI=1S/C22H21N3/c1-16-10-7-8-13-20(16)24-18(3)22-15-9-14-21(25-22)17(2)23-19-11-5-4-6-12-19/h4-15H,1-3H3/b23-17+,24-18+
InChIKeyPZEIGMYOXKLODK-GJHDBBOXSA-N
XLogP5.67
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.67
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

1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt
CID 140748189
1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
CID 58927833
acetonitrile;dichlororuthenium;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine
CID 139238297
N-[4-[1-[6-[N-(2,5-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]-1-[6-[N-(5-fluoro-2-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 126651824
cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
CID 173244874
cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 87860468
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
CID 173244518
cobalt(3+);1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;trichloride
CID 173244755
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894

Frequently Asked Questions

What is the IUPAC name of 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine?
The IUPAC name of 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine (CID 177189173) is 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine.
What is the SMILES notation for 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine?
The canonical SMILES for 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine is C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2C)n1.
What is the InChIKey of 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine?
The InChIKey is PZEIGMYOXKLODK-GJHDBBOXSA-N. The full InChI is InChI=1S/C22H21N3/c1-16-10-7-8-13-20(16)24-18(3)22-15-9-14-21(25-22)17(2)23-19-11-5-4-6-12-19/h4-15H,1-3H3/b23-17+,24-18+.
What are the key properties of 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine?
1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine has a molecular weight of 327.43 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine is sourced from PubChem (CID 177189173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).