N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide

C18H12F4N4O2 — CID 56668982

IUPACN-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1ccncc1)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C18H12F4N4O2/c19-12-7-13(20)16(22)17(15(12)21)28-14-2-1-11(9-24-14)18(26-27)25-8-10-3-5-23-6-4-10/h1-7,9,27H,8H2,(H,25,26)
InChIKeyJTVKEGWDFOHSCI-UHFFFAOYSA-N
MW392.31 g/mol
LogP3.75
Rot. Bonds5

About N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide

N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide (PubChem CID 56668982) has the molecular formula C18H12F4N4O2 and a molecular weight of 392.31 g/mol. Its IUPAC name is N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
PubChem CID56668982
Molecular FormulaC18H12F4N4O2
Molecular Weight392.31 g/mol
Exact Mass392.09
IUPAC NameN-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1ccncc1)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C18H12F4N4O2/c19-12-7-13(20)16(22)17(15(12)21)28-14-2-1-11(9-24-14)18(26-27)25-8-10-3-5-23-6-4-10/h1-7,9,27H,8H2,(H,25,26)
InChIKeyJTVKEGWDFOHSCI-UHFFFAOYSA-N
XLogP3.75
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 53.75
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'}

Analyze N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56682591
N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56672713
N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 56682818
N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide
CID 56675746
N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
CID 56678921
4-(2,3,5,6-tetrafluorophenoxy)pyrimidine
CID 131735128
(NZ)-N-[(2,5-dimethylpyrrolidin-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
CID 56672584
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
CID 56665436
6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide
CID 56669236
N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
CID 56682141
2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide
CID 15255285
2,3,5,6-tetrafluorophenol;bis((2,3,5,6-tetrafluorophenyl) 3-pyridin-4-ylpropanoate);hydrochloride
CID 165004296

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide (CID 56668982) is N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide is ON/C(=N\Cc1ccncc1)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1.
What is the InChIKey of N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
The InChIKey is JTVKEGWDFOHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O2/c19-12-7-13(20)16(22)17(15(12)21)28-14-2-1-11(9-24-14)18(26-27)25-8-10-3-5-23-6-4-10/h1-7,9,27H,8H2,(H,25,26).
What are the key properties of N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide?
N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide has a molecular weight of 392.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56668982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).