N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide

C16H16F3N3O3 — CID 56679271

IUPACN-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
SMILESCOCC/N=C(\NO)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O3/c1-24-9-8-20-14(22-23)13-6-3-7-21-15(13)25-12-5-2-4-11(10-12)16(17,18)19/h2-7,10,23H,8-9H2,1H3,(H,20,22)
InChIKeyZSTNHQBMEQBIJJ-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.26
Rot. Bonds6

About N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide

N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide (PubChem CID 56679271) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
PubChem CID56679271
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
SMILESCOCC/N=C(\NO)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O3/c1-24-9-8-20-14(22-23)13-6-3-7-21-15(13)25-12-5-2-4-11(10-12)16(17,18)19/h2-7,10,23H,8-9H2,1H3,(H,20,22)
InChIKeyZSTNHQBMEQBIJJ-UHFFFAOYSA-N
XLogP3.26
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide (CID 56679271) is N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide is COCC/N=C(\NO)c1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
The InChIKey is ZSTNHQBMEQBIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-24-9-8-20-14(22-23)13-6-3-7-21-15(13)25-12-5-2-4-11(10-12)16(17,18)19/h2-7,10,23H,8-9H2,1H3,(H,20,22).
What are the key properties of N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide has a molecular weight of 355.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 56679271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).