(NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine

C17H16N4O3 — CID 56675863

IUPAC(NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCOc1cccc(Oc2ccc(/C(=N/O)n3ccnc3C)cn2)c1
InChIInChI=1S/C17H16N4O3/c1-12-18-8-9-21(12)17(20-22)13-6-7-16(19-11-13)24-15-5-3-4-14(10-15)23-2/h3-11,22H,1-2H3/b20-17-
InChIKeyHZCPROXPVAFDGM-JZJYNLBNSA-N
MW324.34 g/mol
LogP3.07
Rot. Bonds4

About (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine

(NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine (PubChem CID 56675863) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
PubChem CID56675863
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name(NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCOc1cccc(Oc2ccc(/C(=N/O)n3ccnc3C)cn2)c1
InChIInChI=1S/C17H16N4O3/c1-12-18-8-9-21(12)17(20-22)13-6-7-16(19-11-13)24-15-5-3-4-14(10-15)23-2/h3-11,22H,1-2H3/b20-17-
InChIKeyHZCPROXPVAFDGM-JZJYNLBNSA-N
XLogP3.07
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine (CID 56675863) is (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine is COc1cccc(Oc2ccc(/C(=N/O)n3ccnc3C)cn2)c1.
What is the InChIKey of (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
The InChIKey is HZCPROXPVAFDGM-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-12-18-8-9-21(12)17(20-22)13-6-7-16(19-11-13)24-15-5-3-4-14(10-15)23-2/h3-11,22H,1-2H3/b20-17-.
What are the key properties of (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine has a molecular weight of 324.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56675863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).