N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide

C17H15F4N3O3 — CID 56672713

IUPACN-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
SMILESON/C(=N\CC1CCCO1)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C17H15F4N3O3/c18-11-6-12(19)15(21)16(14(11)20)27-13-4-3-9(7-22-13)17(24-25)23-8-10-2-1-5-26-10/h3-4,6-7,10,25H,1-2,5,8H2,(H,23,24)
InChIKeyIESOAUGVUZTNQE-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.33
Rot. Bonds5

About N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide

N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide (PubChem CID 56672713) has the molecular formula C17H15F4N3O3 and a molecular weight of 385.32 g/mol. Its IUPAC name is N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
PubChem CID56672713
Molecular FormulaC17H15F4N3O3
Molecular Weight385.32 g/mol
Exact Mass385.10
IUPAC NameN-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
SMILESON/C(=N\CC1CCCO1)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C17H15F4N3O3/c18-11-6-12(19)15(21)16(14(11)20)27-13-4-3-9(7-22-13)17(24-25)23-8-10-2-1-5-26-10/h3-4,6-7,10,25H,1-2,5,8H2,(H,23,24)
InChIKeyIESOAUGVUZTNQE-UHFFFAOYSA-N
XLogP3.33
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide
CID 24702377
N-[(4-fluorophenyl)methyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286
N,N-dimethyl-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017281
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138860
6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089121
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
CID 56665436
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
N-(4-methylpiperazin-1-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide
CID 124892168
[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methanol
CID 61255283
N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide
CID 124891285
methyl N-(3,4-dichlorobenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7261503
oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate
CID 78888195

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide (CID 56672713) is N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide is ON/C(=N\CC1CCCO1)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1.
What is the InChIKey of N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
The InChIKey is IESOAUGVUZTNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O3/c18-11-6-12(19)15(21)16(14(11)20)27-13-4-3-9(7-22-13)17(24-25)23-8-10-2-1-5-26-10/h3-4,6-7,10,25H,1-2,5,8H2,(H,23,24).
What are the key properties of N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide has a molecular weight of 385.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56672713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).