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

C37H31F3N6 — CID 126651824

IUPACN-[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
SMILESC/C(=N\c1ccc(/N=C(\C)c2cccc(/C(C)=N/c3cc(F)ccc3F)n2)cc1)c1cccc(/C(C)=N/c2cc(F)ccc2C)n1
InChIInChI=1S/C37H31F3N6/c1-22-12-13-27(38)20-36(22)43-25(4)34-10-6-8-32(45-34)23(2)41-29-15-17-30(18-16-29)42-24(3)33-9-7-11-35(46-33)26(5)44-37-21-28(39)14-19-31(37)40/h6-21H,1-5H3/b41-23+,42-24+,43-25+,44-26+
InChIKeyOBODUKLDNGBSOY-IVWNNZSSSA-N
MW616.69 g/mol
LogP9.77
Rot. Bonds8

About 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

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 (PubChem CID 126651824) has the molecular formula C37H31F3N6 and a molecular weight of 616.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID126651824
Molecular FormulaC37H31F3N6
Molecular Weight616.69 g/mol
Exact Mass616.26
IUPAC NameN-[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
SMILESC/C(=N\c1ccc(/N=C(\C)c2cccc(/C(C)=N/c3cc(F)ccc3F)n2)cc1)c1cccc(/C(C)=N/c2cc(F)ccc2C)n1
InChIInChI=1S/C37H31F3N6/c1-22-12-13-27(38)20-36(22)43-25(4)34-10-6-8-32(45-34)23(2)41-29-15-17-30(18-16-29)42-24(3)33-9-7-11-35(46-33)26(5)44-37-21-28(39)14-19-31(37)40/h6-21H,1-5H3/b41-23+,42-24+,43-25+,44-26+
InChIKeyOBODUKLDNGBSOY-IVWNNZSSSA-N
XLogP9.77
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.69
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride
CID 173074666
dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 140582338
1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 177189173
bis(dichloroiron);N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5-trimethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 59979058
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
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
4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
CID 90737220
ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 158021685
N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 158753495
1-[6-[N-[2,6-bis[bis(4-fluorophenyl)methyl]-4-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)ethanimine
CID 102293526

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=N\c1ccc(/N=C(\C)c2cccc(/C(C)=N/c3cc(F)ccc3F)n2)cc1)c1cccc(/C(C)=N/c2cc(F)ccc2C)n1.
What is the InChIKey of 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?
The InChIKey is OBODUKLDNGBSOY-IVWNNZSSSA-N. The full InChI is InChI=1S/C37H31F3N6/c1-22-12-13-27(38)20-36(22)43-25(4)34-10-6-8-32(45-34)23(2)41-29-15-17-30(18-16-29)42-24(3)33-9-7-11-35(46-33)26(5)44-37-21-28(39)14-19-31(37)40/h6-21H,1-5H3/b41-23+,42-24+,43-25+,44-26+.
What are the key properties of 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?
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 has a molecular weight of 616.69 g/mol, XLogP of 9.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126651824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).