(NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine

C22H30N4O2S — CID 56665434

IUPAC(NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine
SMILESCSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C22H30N4O2S/c1-15(2)25-10-12-26(13-11-25)21(24-27)19-8-6-17(4)23-22(19)28-18-7-9-20(29-5)16(3)14-18/h6-9,14-15,27H,10-13H2,1-5H3/b24-21-
InChIKeyYVORQVHBFRIZNG-FLFQWRMESA-N
MW414.58 g/mol
LogP4.37
Rot. Bonds5

About (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine

(NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine (PubChem CID 56665434) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine
PubChem CID56665434
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name(NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine
SMILESCSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C22H30N4O2S/c1-15(2)25-10-12-26(13-11-25)21(24-27)19-8-6-17(4)23-22(19)28-18-7-9-20(29-5)16(3)14-18/h6-9,14-15,27H,10-13H2,1-5H3/b24-21-
InChIKeyYVORQVHBFRIZNG-FLFQWRMESA-N
XLogP4.37
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.37
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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Related Compounds

(NZ)-N-[(6-methyl-2-naphthalen-2-yloxy-3-pyridinyl)-morpholin-4-ylmethylidene]hydroxylamine
CID 56672812
(NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
CID 56676187
(NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine
CID 56678920
2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 107169383
2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916421
N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 56682007
(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine
CID 56679498
(NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine
CID 56683862
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide
CID 56675749
2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62703441
N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984476

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine (CID 56665434) is (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine is CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(C(C)C)CC2)cc1C.
What is the InChIKey of (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine?
The InChIKey is YVORQVHBFRIZNG-FLFQWRMESA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-15(2)25-10-12-26(13-11-25)21(24-27)19-8-6-17(4)23-22(19)28-18-7-9-20(29-5)16(3)14-18/h6-9,14-15,27H,10-13H2,1-5H3/b24-21-.
What are the key properties of (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine has a molecular weight of 414.58 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56665434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).