(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine

C20H24FN3O2 — CID 56679498

IUPAC(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2CCC(C)CC2)c(OCc2cccc(F)c2)n1
InChIInChI=1S/C20H24FN3O2/c1-14-8-10-24(11-9-14)19(23-25)18-7-6-15(2)22-20(18)26-13-16-4-3-5-17(21)12-16/h3-7,12,14,25H,8-11,13H2,1-2H3/b23-19-
InChIKeyUNJZPRQPPYHTPM-NMWGTECJSA-N
MW357.43 g/mol
LogP3.98
Rot. Bonds4

About (NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine

(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine (PubChem CID 56679498) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine
PubChem CID56679498
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2CCC(C)CC2)c(OCc2cccc(F)c2)n1
InChIInChI=1S/C20H24FN3O2/c1-14-8-10-24(11-9-14)19(23-25)18-7-6-15(2)22-20(18)26-13-16-4-3-5-17(21)12-16/h3-7,12,14,25H,8-11,13H2,1-2H3/b23-19-
InChIKeyUNJZPRQPPYHTPM-NMWGTECJSA-N
XLogP3.98
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.98
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-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine (CID 56679498) is (NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine is Cc1ccc(/C(=N/O)N2CCC(C)CC2)c(OCc2cccc(F)c2)n1.
What is the InChIKey of (NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine?
The InChIKey is UNJZPRQPPYHTPM-NMWGTECJSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-8-10-24(11-9-14)19(23-25)18-7-6-15(2)22-20(18)26-13-16-4-3-5-17(21)12-16/h3-7,12,14,25H,8-11,13H2,1-2H3/b23-19-.
What are the key properties of (NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine has a molecular weight of 357.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56679498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).