1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

C28H26N4 — CID 139079886

IUPAC1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESCc1cccc(/C=N/c2ccccc2CCc2ccccc2/N=C/c2cccc(C)n2)n1
InChIInChI=1S/C28H26N4/c1-21-9-7-13-25(31-21)19-29-27-15-5-3-11-23(27)17-18-24-12-4-6-16-28(24)30-20-26-14-8-10-22(2)32-26/h3-16,19-20H,17-18H2,1-2H3/b29-19+,30-20+
InChIKeyUQWDQUOLLKDLQS-CZYCKNNWSA-N
MW418.54 g/mol
LogP6.38
Rot. Bonds7

About 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (PubChem CID 139079886) has the molecular formula C28H26N4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
PubChem CID139079886
Molecular FormulaC28H26N4
Molecular Weight418.54 g/mol
Exact Mass418.22
IUPAC Name1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESCc1cccc(/C=N/c2ccccc2CCc2ccccc2/N=C/c2cccc(C)n2)n1
InChIInChI=1S/C28H26N4/c1-21-9-7-13-25(31-21)19-29-27-15-5-3-11-23(27)17-18-24-12-4-6-16-28(24)30-20-26-14-8-10-22(2)32-26/h3-16,19-20H,17-18H2,1-2H3/b29-19+,30-20+
InChIKeyUQWDQUOLLKDLQS-CZYCKNNWSA-N
XLogP6.38
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-(6-methyl-2-pyridinyl)methanimine
CID 71333948
1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine
CID 102590474
1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 71317432
2-[(6-methyl-2-pyridinyl)methylideneamino]ethanol
CID 102086230
N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 141022243
N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011433
4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline
CID 142801680
dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048598
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
CID 86152430
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride
CID 173244597

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (CID 139079886) is 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is Cc1cccc(/C=N/c2ccccc2CCc2ccccc2/N=C/c2cccc(C)n2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The InChIKey is UQWDQUOLLKDLQS-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H26N4/c1-21-9-7-13-25(31-21)19-29-27-15-5-3-11-23(27)17-18-24-12-4-6-16-28(24)30-20-26-14-8-10-22(2)32-26/h3-16,19-20H,17-18H2,1-2H3/b29-19+,30-20+.
What are the key properties of 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine has a molecular weight of 418.54 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 139079886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).