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

C18H17F4N3O2 — CID 56672584

IUPAC(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCC1CCC(C)N1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C18H17F4N3O2/c1-9-3-4-10(2)25(9)18(24-26)11-5-6-14(23-8-11)27-17-15(21)12(19)7-13(20)16(17)22/h5-10,26H,3-4H2,1-2H3/b24-18-
InChIKeyJATKCEUJYRAYHD-MOHJPFBDSA-N
MW383.35 g/mol
LogP4.44
Rot. Bonds3

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

(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56672584) has the molecular formula C18H17F4N3O2 and a molecular weight of 383.35 g/mol. Its IUPAC name is (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56672584
Molecular FormulaC18H17F4N3O2
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Name(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCC1CCC(C)N1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C18H17F4N3O2/c1-9-3-4-10(2)25(9)18(24-26)11-5-6-14(23-8-11)27-17-15(21)12(19)7-13(20)16(17)22/h5-10,26H,3-4H2,1-2H3/b24-18-
InChIKeyJATKCEUJYRAYHD-MOHJPFBDSA-N
XLogP4.44
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine (CID 56672584) is (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine is CC1CCC(C)N1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1.
What is the InChIKey of (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is JATKCEUJYRAYHD-MOHJPFBDSA-N. The full InChI is InChI=1S/C18H17F4N3O2/c1-9-3-4-10(2)25(9)18(24-26)11-5-6-14(23-8-11)27-17-15(21)12(19)7-13(20)16(17)22/h5-10,26H,3-4H2,1-2H3/b24-18-.
What are the key properties of (NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 383.35 g/mol, XLogP of 4.44, 3 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-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56672584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).