(NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine

C21H27N3O2 — CID 56665923

IUPAC(NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine
SMILESCc1cc(C)cc(Oc2ccc(/C(=N/O)N3CC(C)CC(C)C3)cn2)c1
InChIInChI=1S/C21H27N3O2/c1-14-7-15(2)10-19(9-14)26-20-6-5-18(11-22-20)21(23-25)24-12-16(3)8-17(4)13-24/h5-7,9-11,16-17,25H,8,12-13H2,1-4H3/b23-21-
InChIKeyUJNQJHNCZCQOEF-LNVKXUELSA-N
MW353.47 g/mol
LogP4.60
Rot. Bonds3

About (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine

(NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine (PubChem CID 56665923) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine
PubChem CID56665923
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine
SMILESCc1cc(C)cc(Oc2ccc(/C(=N/O)N3CC(C)CC(C)C3)cn2)c1
InChIInChI=1S/C21H27N3O2/c1-14-7-15(2)10-19(9-14)26-20-6-5-18(11-22-20)21(23-25)24-12-16(3)8-17(4)13-24/h5-7,9-11,16-17,25H,8,12-13H2,1-4H3/b23-21-
InChIKeyUJNQJHNCZCQOEF-LNVKXUELSA-N
XLogP4.60
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine
CID 56669250
(NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine
CID 56679502
[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55787670
(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
CID 56672584
(NZ)-N-[(6-dibenzofuran-2-yloxy-3-pyridinyl)-(3,6-dihydro-2H-pyridin-1-yl)methylidene]hydroxylamine
CID 56669139
N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577700
6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 77005377
5-(chloromethyl)-2-(3,5-dimethylphenoxy)pyridine
CID 61270098
N'-hydroxy-6-[3-[[5-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]-5-(piperazine-1-carbonyl)phenoxy]pyridine-3-carboximidamide
CID 141280453
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
(2S)-1-(3,5-dimethylphenoxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 93325171
6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide
CID 43369949

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine (CID 56665923) is (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine is Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3CC(C)CC(C)C3)cn2)c1.
What is the InChIKey of (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine?
The InChIKey is UJNQJHNCZCQOEF-LNVKXUELSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-7-15(2)10-19(9-14)26-20-6-5-18(11-22-20)21(23-25)24-12-16(3)8-17(4)13-24/h5-7,9-11,16-17,25H,8,12-13H2,1-4H3/b23-21-.
What are the key properties of (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine has a molecular weight of 353.47 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56665923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).