nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate

C21H15N3NiO3 — CID 170900888

IUPACnickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate
SMILESO=C([O-])C/N=C(\c1ccccc1)c1ccccc1[N-]C(=O)c1ccccn1.[Ni+2]
InChIInChI=1S/C21H17N3O3.Ni/c25-19(26)14-23-20(15-8-2-1-3-9-15)16-10-4-5-11-17(16)24-21(27)18-12-6-7-13-22-18;/h1-13H,14H2,(H2,23,24,25,26,27);/q;+2/p-2
InChIKeyQJLPQLCKAPQMMP-UHFFFAOYSA-L
MW416.06 g/mol
LogP2.51
Rot. Bonds6

About nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate

nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate (PubChem CID 170900888) has the molecular formula C21H15N3NiO3 and a molecular weight of 416.06 g/mol. Its IUPAC name is nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate.

Molecular Properties

Compound Namenickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate
PubChem CID170900888
Molecular FormulaC21H15N3NiO3
Molecular Weight416.06 g/mol
Exact Mass415.05
IUPAC Namenickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate
SMILESO=C([O-])C/N=C(\c1ccccc1)c1ccccc1[N-]C(=O)c1ccccn1.[Ni+2]
InChIInChI=1S/C21H17N3O3.Ni/c25-19(26)14-23-20(15-8-2-1-3-9-15)16-10-4-5-11-17(16)24-21(27)18-12-6-7-13-22-18;/h1-13H,14H2,(H2,23,24,25,26,27);/q;+2/p-2
InChIKeyQJLPQLCKAPQMMP-UHFFFAOYSA-L
XLogP2.51
TPSA96.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.06
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate?
The IUPAC name of nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate (CID 170900888) is nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate.
What is the SMILES notation for nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate?
The canonical SMILES for nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate is O=C([O-])C/N=C(\c1ccccc1)c1ccccc1[N-]C(=O)c1ccccn1.[Ni+2].
What is the InChIKey of nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate?
The InChIKey is QJLPQLCKAPQMMP-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H17N3O3.Ni/c25-19(26)14-23-20(15-8-2-1-3-9-15)16-10-4-5-11-17(16)24-21(27)18-12-6-7-13-22-18;/h1-13H,14H2,(H2,23,24,25,26,27);/q;+2/p-2.
What are the key properties of nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate?
nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate has a molecular weight of 416.06 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);2-[[phenyl-[2-(pyridine-2-carbonylazanidyl)phenyl]methylidene]amino]acetate is sourced from PubChem (CID 170900888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).