(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine

C21H27N3O2 — CID 56665687

IUPAC(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2C(C)CCC2C)c(OCc2ccccc2C)n1
InChIInChI=1S/C21H27N3O2/c1-14-7-5-6-8-18(14)13-26-21-19(12-9-15(2)22-21)20(23-25)24-16(3)10-11-17(24)4/h5-9,12,16-17,25H,10-11,13H2,1-4H3/b23-20-
InChIKeyOMKZMWNTAZXGDW-ATJXCDBQSA-N
MW353.47 g/mol
LogP4.29
Rot. Bonds4

About (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56665687) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56665687
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2C(C)CCC2C)c(OCc2ccccc2C)n1
InChIInChI=1S/C21H27N3O2/c1-14-7-5-6-8-18(14)13-26-21-19(12-9-15(2)22-21)20(23-25)24-16(3)10-11-17(24)4/h5-9,12,16-17,25H,10-11,13H2,1-4H3/b23-20-
InChIKeyOMKZMWNTAZXGDW-ATJXCDBQSA-N
XLogP4.29
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 ≤ 54.29
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-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine (CID 56665687) is (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine is Cc1ccc(/C(=N/O)N2C(C)CCC2C)c(OCc2ccccc2C)n1.
What is the InChIKey of (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is OMKZMWNTAZXGDW-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-7-5-6-8-18(14)13-26-21-19(12-9-15(2)22-21)20(23-25)24-16(3)10-11-17(24)4/h5-9,12,16-17,25H,10-11,13H2,1-4H3/b23-20-.
What are the key properties of (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 353.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56665687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).