(NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine

C21H27N3O2 — CID 56669250

IUPAC(NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine
SMILESCc1cc(Oc2ccc(/C(=N/O)N3CCCC3C)cn2)cc(C(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)18-10-15(3)11-19(12-18)26-20-8-7-17(13-22-20)21(23-25)24-9-5-6-16(24)4/h7-8,10-14,16,25H,5-6,9H2,1-4H3/b23-21-
InChIKeyLTZKWBVABHQEDZ-LNVKXUELSA-N
MW353.47 g/mol
LogP4.93
Rot. Bonds4

About (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine

(NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine (PubChem CID 56669250) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine
PubChem CID56669250
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine
SMILESCc1cc(Oc2ccc(/C(=N/O)N3CCCC3C)cn2)cc(C(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)18-10-15(3)11-19(12-18)26-20-8-7-17(13-22-20)21(23-25)24-9-5-6-16(24)4/h7-8,10-14,16,25H,5-6,9H2,1-4H3/b23-21-
InChIKeyLTZKWBVABHQEDZ-LNVKXUELSA-N
XLogP4.93
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.93
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine (CID 56669250) is (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine is Cc1cc(Oc2ccc(/C(=N/O)N3CCCC3C)cn2)cc(C(C)C)c1.
What is the InChIKey of (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine?
The InChIKey is LTZKWBVABHQEDZ-LNVKXUELSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)18-10-15(3)11-19(12-18)26-20-8-7-17(13-22-20)21(23-25)24-9-5-6-16(24)4/h7-8,10-14,16,25H,5-6,9H2,1-4H3/b23-21-.
What are the key properties of (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine has a molecular weight of 353.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56669250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).