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

C27H19N7 — CID 71078729

IUPAC1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine
SMILESC(=Nc1cccc(/N=C/c2cccc(-c3ccccn3)n2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C27H19N7/c1-3-16-28-22(10-1)24-12-5-8-20(32-24)18-30-26-14-7-15-27(34-26)31-19-21-9-6-13-25(33-21)23-11-2-4-17-29-23/h1-19H/b30-18+,31-19?
InChIKeyMSHPWCMLVHQNSM-JAOXXECESA-N
MW441.50 g/mol
LogP5.50
Rot. Bonds6

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

1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine (PubChem CID 71078729) has the molecular formula C27H19N7 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine.

Molecular Properties

Compound Name1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine
PubChem CID71078729
Molecular FormulaC27H19N7
Molecular Weight441.50 g/mol
Exact Mass441.17
IUPAC Name1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine
SMILESC(=Nc1cccc(/N=C/c2cccc(-c3ccccn3)n2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C27H19N7/c1-3-16-28-22(10-1)24-12-5-8-20(32-24)18-30-26-14-7-15-27(34-26)31-19-21-9-6-13-25(33-21)23-11-2-4-17-29-23/h1-19H/b30-18+,31-19?
InChIKeyMSHPWCMLVHQNSM-JAOXXECESA-N
XLogP5.50
TPSA89.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine
CID 68534442
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
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine?
The IUPAC name of 1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine (CID 71078729) is 1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine.
What is the SMILES notation for 1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine?
The canonical SMILES for 1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine is C(=Nc1cccc(/N=C/c2cccc(-c3ccccn3)n2)n1)c1cccc(-c2ccccn2)n1.
What is the InChIKey of 1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine?
The InChIKey is MSHPWCMLVHQNSM-JAOXXECESA-N. The full InChI is InChI=1S/C27H19N7/c1-3-16-28-22(10-1)24-12-5-8-20(32-24)18-30-26-14-7-15-27(34-26)31-19-21-9-6-13-25(33-21)23-11-2-4-17-29-23/h1-19H/b30-18+,31-19?.
What are the key properties of 1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine?
1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine has a molecular weight of 441.50 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine is sourced from PubChem (CID 71078729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).