bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel

C38H34N14NiO8 — CID 135978134

IUPACbis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel
SMILESCOc1ccc(OC)c(/N=N/C(=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccn2)c1.COc1ccc(OC)c(/N=N/C(=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccn2)c1.[Ni]
InChIInChI=1S/2C19H17N7O4.Ni/c2*1-29-14-7-8-17(30-2)16(11-14)22-24-19(15-5-3-4-10-20-15)25-23-18-9-6-13(12-21-18)26(27)28;/h2*3-12H,1-2H3,(H,21,23);/b2*24-22+,25-19-;
InChIKeyOJBCWTNWPDVLLN-KAVYEMDBSA-N
MW873.47 g/mol
LogP7.92
Rot. Bonds14

About bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel

bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel (PubChem CID 135978134) has the molecular formula C38H34N14NiO8 and a molecular weight of 873.47 g/mol. Its IUPAC name is bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel.

Molecular Properties

Compound Namebis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel
PubChem CID135978134
Molecular FormulaC38H34N14NiO8
Molecular Weight873.47 g/mol
Exact Mass872.20
IUPAC Namebis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel
SMILESCOc1ccc(OC)c(/N=N/C(=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccn2)c1.COc1ccc(OC)c(/N=N/C(=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccn2)c1.[Ni]
InChIInChI=1S/2C19H17N7O4.Ni/c2*1-29-14-7-8-17(30-2)16(11-14)22-24-19(15-5-3-4-10-20-15)25-23-18-9-6-13(12-21-18)26(27)28;/h2*3-12H,1-2H3,(H,21,23);/b2*24-22+,25-19-;
InChIKeyOJBCWTNWPDVLLN-KAVYEMDBSA-N
XLogP7.92
TPSA272.98 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.47
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel?
The IUPAC name of bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel (CID 135978134) is bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel.
What is the SMILES notation for bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel?
The canonical SMILES for bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel is COc1ccc(OC)c(/N=N/C(=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccn2)c1.COc1ccc(OC)c(/N=N/C(=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccn2)c1.[Ni].
What is the InChIKey of bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel?
The InChIKey is OJBCWTNWPDVLLN-KAVYEMDBSA-N. The full InChI is InChI=1S/2C19H17N7O4.Ni/c2*1-29-14-7-8-17(30-2)16(11-14)22-24-19(15-5-3-4-10-20-15)25-23-18-9-6-13(12-21-18)26(27)28;/h2*3-12H,1-2H3,(H,21,23);/b2*24-22+,25-19-;.
What are the key properties of bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel?
bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel has a molecular weight of 873.47 g/mol, XLogP of 7.92, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel is sourced from PubChem (CID 135978134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).