N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine

C24H18N8 — CID 56695626

IUPACN-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine
SMILESC(=N/Nc1ccccn1)\c1ccc2ccc3ccc(/C=N/Nc4ccccn4)nc3c2n1
InChIInChI=1S/C24H18N8/c1-3-13-25-21(5-1)31-27-15-19-11-9-17-7-8-18-10-12-20(30-24(18)23(17)29-19)16-28-32-22-6-2-4-14-26-22/h1-16H,(H,25,31)(H,26,32)/b27-15+,28-16+
InChIKeyYVBZVFJUAVNTSL-DPCVLPDWSA-N
MW418.46 g/mol
LogP4.47
Rot. Bonds6

About N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine

N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine (PubChem CID 56695626) has the molecular formula C24H18N8 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine
PubChem CID56695626
Molecular FormulaC24H18N8
Molecular Weight418.46 g/mol
Exact Mass418.17
IUPAC NameN-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine
SMILESC(=N/Nc1ccccn1)\c1ccc2ccc3ccc(/C=N/Nc4ccccn4)nc3c2n1
InChIInChI=1S/C24H18N8/c1-3-13-25-21(5-1)31-27-15-19-11-9-17-7-8-18-10-12-20(30-24(18)23(17)29-19)16-28-32-22-6-2-4-14-26-22/h1-16H,(H,25,31)(H,26,32)/b27-15+,28-16+
InChIKeyYVBZVFJUAVNTSL-DPCVLPDWSA-N
XLogP4.47
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine (CID 56695626) is N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine is C(=N/Nc1ccccn1)\c1ccc2ccc3ccc(/C=N/Nc4ccccn4)nc3c2n1.
What is the InChIKey of N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine?
The InChIKey is YVBZVFJUAVNTSL-DPCVLPDWSA-N. The full InChI is InChI=1S/C24H18N8/c1-3-13-25-21(5-1)31-27-15-19-11-9-17-7-8-18-10-12-20(30-24(18)23(17)29-19)16-28-32-22-6-2-4-14-26-22/h1-16H,(H,25,31)(H,26,32)/b27-15+,28-16+.
What are the key properties of N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine?
N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine has a molecular weight of 418.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine is sourced from PubChem (CID 56695626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).