(NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine

C20H23N3O2S — CID 56678920

IUPAC(NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2C(C)C=CC2C)cc1
InChIInChI=1S/C20H23N3O2S/c1-13-5-12-18(19(22-24)23-14(2)6-7-15(23)3)20(21-13)25-16-8-10-17(26-4)11-9-16/h5-12,14-15,24H,1-4H3/b22-19-
InChIKeyWWQNDRGZKVLVLS-QOCHGBHMSA-N
MW369.49 g/mol
LogP4.69
Rot. Bonds4

About (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56678920) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56678920
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2C(C)C=CC2C)cc1
InChIInChI=1S/C20H23N3O2S/c1-13-5-12-18(19(22-24)23-14(2)6-7-15(23)3)20(21-13)25-16-8-10-17(26-4)11-9-16/h5-12,14-15,24H,1-4H3/b22-19-
InChIKeyWWQNDRGZKVLVLS-QOCHGBHMSA-N
XLogP4.69
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.69
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': 'isolated_alkene', '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

N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 77003380
(NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine
CID 56665434
6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63648336
(NZ)-N-[(6-methyl-2-naphthalen-2-yloxy-3-pyridinyl)-morpholin-4-ylmethylidene]hydroxylamine
CID 56672812
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboxamide
CID 79868967
2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916421
2-methyl-6-(4-methylsulfanylphenoxy)pyridine
CID 123742413
N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679524
(NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
CID 56665534
6-methyl-2-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 106486726

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine (CID 56678920) is (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine is CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2C(C)C=CC2C)cc1.
What is the InChIKey of (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is WWQNDRGZKVLVLS-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-5-12-18(19(22-24)23-14(2)6-7-15(23)3)20(21-13)25-16-8-10-17(26-4)11-9-16/h5-12,14-15,24H,1-4H3/b22-19-.
What are the key properties of (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 369.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56678920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).