1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine

C28H20N6 — CID 68534442

IUPAC1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2cccc(-c3ccccn3)n2)cc1)\c1cccc(-c2ccccn2)n1
InChIInChI=1S/C28H20N6/c1-3-17-29-25(9-1)27-11-5-7-23(33-27)19-31-21-13-15-22(16-14-21)32-20-24-8-6-12-28(34-24)26-10-2-4-18-30-26/h1-20H/b31-19+,32-20+
InChIKeyXECMZKDMGSVAIZ-GKTLAHRSSA-N
MW440.51 g/mol
LogP6.10
Rot. Bonds6

About 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine

1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine (PubChem CID 68534442) has the molecular formula C28H20N6 and a molecular weight of 440.51 g/mol. Its IUPAC name is 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine.

Molecular Properties

Compound Name1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine
PubChem CID68534442
Molecular FormulaC28H20N6
Molecular Weight440.51 g/mol
Exact Mass440.17
IUPAC Name1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2cccc(-c3ccccn3)n2)cc1)\c1cccc(-c2ccccn2)n1
InChIInChI=1S/C28H20N6/c1-3-17-29-25(9-1)27-11-5-7-23(33-27)19-31-21-13-15-22(16-14-21)32-20-24-8-6-12-28(34-24)26-10-2-4-18-30-26/h1-20H/b31-19+,32-20+
InChIKeyXECMZKDMGSVAIZ-GKTLAHRSSA-N
XLogP6.10
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine with MolForge

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Related Compounds

1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine
CID 71078729
1-(6-pyridin-2-yl-2-pyridinyl)-N-[2-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]ethyl]methanimine
CID 102521217
N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide
CID 173091119
N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
CID 101384973
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
N,N-dimethyl-4-(pyridin-2-ylmethylideneamino)aniline
CID 20740795
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine?
The IUPAC name of 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine (CID 68534442) is 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine.
What is the SMILES notation for 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine?
The canonical SMILES for 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine is C(=N/c1ccc(/N=C/c2cccc(-c3ccccn3)n2)cc1)\c1cccc(-c2ccccn2)n1.
What is the InChIKey of 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine?
The InChIKey is XECMZKDMGSVAIZ-GKTLAHRSSA-N. The full InChI is InChI=1S/C28H20N6/c1-3-17-29-25(9-1)27-11-5-7-23(33-27)19-31-21-13-15-22(16-14-21)32-20-24-8-6-12-28(34-24)26-10-2-4-18-30-26/h1-20H/b31-19+,32-20+.
What are the key properties of 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine?
1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine has a molecular weight of 440.51 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine is sourced from PubChem (CID 68534442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).