2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide

C21H20N4O3 — CID 75264488

IUPAC2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CON=C(N)c1ccc(Oc2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C21H20N4O3/c1-25(17-8-4-2-5-9-17)20(26)15-27-24-21(22)16-12-13-19(23-14-16)28-18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H2,22,24)
InChIKeyFGXGBYXGVDMIMK-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.17
Rot. Bonds7

About 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide

2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide (PubChem CID 75264488) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide
PubChem CID75264488
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CON=C(N)c1ccc(Oc2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C21H20N4O3/c1-25(17-8-4-2-5-9-17)20(26)15-27-24-21(22)16-12-13-19(23-14-16)28-18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H2,22,24)
InChIKeyFGXGBYXGVDMIMK-UHFFFAOYSA-N
XLogP3.17
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591206
6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide
CID 97201727
N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591183
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-6-phenoxypyridine-3-carboxamide
CID 87002374
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide
CID 111663059
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide
CID 52787632
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468
2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide
CID 60591154
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 87002105

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide (CID 75264488) is 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide is CN(C(=O)CON=C(N)c1ccc(Oc2ccccc2)nc1)c1ccccc1.
What is the InChIKey of 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide?
The InChIKey is FGXGBYXGVDMIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-25(17-8-4-2-5-9-17)20(26)15-27-24-21(22)16-12-13-19(23-14-16)28-18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H2,22,24).
What are the key properties of 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide?
2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide has a molecular weight of 376.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide is sourced from PubChem (CID 75264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).