N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide

C21H19BrN4O2 — CID 5229220

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide
SMILESCCOc1ccc(/N=C(/NN=Cc2cc(Br)ccc2O)c2ccccn2)cc1
InChIInChI=1S/C21H19BrN4O2/c1-2-28-18-9-7-17(8-10-18)25-21(19-5-3-4-12-23-19)26-24-14-15-13-16(22)6-11-20(15)27/h3-14,27H,2H2,1H3,(H,25,26)
InChIKeyXEBGYMMYWTZQKU-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.65
Rot. Bonds6

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide (PubChem CID 5229220) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide
PubChem CID5229220
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide
SMILESCCOc1ccc(/N=C(/NN=Cc2cc(Br)ccc2O)c2ccccn2)cc1
InChIInChI=1S/C21H19BrN4O2/c1-2-28-18-9-7-17(8-10-18)25-21(19-5-3-4-12-23-19)26-24-14-15-13-16(22)6-11-20(15)27/h3-14,27H,2H2,1H3,(H,25,26)
InChIKeyXEBGYMMYWTZQKU-UHFFFAOYSA-N
XLogP4.65
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide
CID 135602458
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 135411868
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N'-(4-ethoxyphenyl)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]pyridine-2-carboximidamide
CID 6307814
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3297181
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 5117304
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136863964
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 5230324
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 135722741
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6266636
N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 4264071

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide (CID 5229220) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide is CCOc1ccc(/N=C(/NN=Cc2cc(Br)ccc2O)c2ccccn2)cc1.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide?
The InChIKey is XEBGYMMYWTZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c1-2-28-18-9-7-17(8-10-18)25-21(19-5-3-4-12-23-19)26-24-14-15-13-16(22)6-11-20(15)27/h3-14,27H,2H2,1H3,(H,25,26).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide has a molecular weight of 439.31 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide is sourced from PubChem (CID 5229220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).