N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide

C25H21FN6O — CID 78017377

IUPACN'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide
SMILES[H]/N=N\C(=NN)C(Oc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1N)c1ccccc1
InChIInChI=1S/C25H21FN6O/c26-19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)30-25(22(20)27)33-23(24(31-28)32-29)18-9-5-2-6-10-18/h1-15,23,28H,27,29H2/b31-28-,32-24?
InChIKeyLBCAUFPMCUBNDQ-NHPGYOSNSA-N
MW440.48 g/mol
LogP5.56
Rot. Bonds6

About N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide

N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide (PubChem CID 78017377) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide
PubChem CID78017377
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC NameN'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide
SMILES[H]/N=N\C(=NN)C(Oc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1N)c1ccccc1
InChIInChI=1S/C25H21FN6O/c26-19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)30-25(22(20)27)33-23(24(31-28)32-29)18-9-5-2-6-10-18/h1-15,23,28H,27,29H2/b31-28-,32-24?
InChIKeyLBCAUFPMCUBNDQ-NHPGYOSNSA-N
XLogP5.56
TPSA122.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide?
The IUPAC name of N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide (CID 78017377) is N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide.
What is the SMILES notation for N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide?
The canonical SMILES for N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide is [H]/N=N\C(=NN)C(Oc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1N)c1ccccc1.
What is the InChIKey of N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide?
The InChIKey is LBCAUFPMCUBNDQ-NHPGYOSNSA-N. The full InChI is InChI=1S/C25H21FN6O/c26-19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)30-25(22(20)27)33-23(24(31-28)32-29)18-9-5-2-6-10-18/h1-15,23,28H,27,29H2/b31-28-,32-24?.
What are the key properties of N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide?
N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide has a molecular weight of 440.48 g/mol, XLogP of 5.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide is sourced from PubChem (CID 78017377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).