(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine

C17H15FN4O2 — CID 56682790

IUPAC(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2ccc(C)nc2Oc2cccc(F)c2)cn1
InChIInChI=1S/C17H15FN4O2/c1-11-6-7-15(16(21-23)22-9-12(2)19-10-22)17(20-11)24-14-5-3-4-13(18)8-14/h3-10,23H,1-2H3/b21-16-
InChIKeyYIJKIZHBDNBAAF-PGMHBOJBSA-N
MW326.33 g/mol
LogP3.51
Rot. Bonds3

About (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine

(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (PubChem CID 56682790) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
PubChem CID56682790
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2ccc(C)nc2Oc2cccc(F)c2)cn1
InChIInChI=1S/C17H15FN4O2/c1-11-6-7-15(16(21-23)22-9-12(2)19-10-22)17(20-11)24-14-5-3-4-13(18)8-14/h3-10,23H,1-2H3/b21-16-
InChIKeyYIJKIZHBDNBAAF-PGMHBOJBSA-N
XLogP3.51
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (CID 56682790) is (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is Cc1cn(/C(=N\O)c2ccc(C)nc2Oc2cccc(F)c2)cn1.
What is the InChIKey of (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The InChIKey is YIJKIZHBDNBAAF-PGMHBOJBSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-11-6-7-15(16(21-23)22-9-12(2)19-10-22)17(20-11)24-14-5-3-4-13(18)8-14/h3-10,23H,1-2H3/b21-16-.
What are the key properties of (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine has a molecular weight of 326.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56682790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).