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

C19H20N4O3 — CID 56665534

IUPAC(NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCOc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)n1cnc(C)c1
InChIInChI=1S/C19H20N4O3/c1-12-5-8-16(17(9-12)25-4)26-19-15(7-6-13(2)21-19)18(22-24)23-10-14(3)20-11-23/h5-11,24H,1-4H3/b22-18-
InChIKeyXZTXXQZKALIHIA-PYCFMQQDSA-N
MW352.39 g/mol
LogP3.69
Rot. Bonds4

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

(NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (PubChem CID 56665534) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
PubChem CID56665534
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCOc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)n1cnc(C)c1
InChIInChI=1S/C19H20N4O3/c1-12-5-8-16(17(9-12)25-4)26-19-15(7-6-13(2)21-19)18(22-24)23-10-14(3)20-11-23/h5-11,24H,1-4H3/b22-18-
InChIKeyXZTXXQZKALIHIA-PYCFMQQDSA-N
XLogP3.69
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.69
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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Related Compounds

2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295
[8-(2-methoxy-4-methylphenoxy)imidazo[1,2-a]pyrazin-6-yl]hydrazine
CID 80909010
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 107668753
8-(2-methoxy-4-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80880981
5-iodo-4-(2-methoxy-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676066
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 64856053
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435
2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916371
2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 79407873
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboximidamide
CID 64855988

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (CID 56665534) is (NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)n1cnc(C)c1.
What is the InChIKey of (NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The InChIKey is XZTXXQZKALIHIA-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-5-8-16(17(9-12)25-4)26-19-15(7-6-13(2)21-19)18(22-24)23-10-14(3)20-11-23/h5-11,24H,1-4H3/b22-18-.
What are the key properties of (NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine has a molecular weight of 352.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56665534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).