N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide

C17H18F3N3O3 — CID 56675607

IUPACN-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
SMILESCOCC(C)/N=C(\NO)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O3/c1-11(10-25-2)22-15(23-24)14-7-4-8-21-16(14)26-13-6-3-5-12(9-13)17(18,19)20/h3-9,11,24H,10H2,1-2H3,(H,22,23)
InChIKeyZMHPLAOGDWNAGF-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.65
Rot. Bonds6

About N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide

N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide (PubChem CID 56675607) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
PubChem CID56675607
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
SMILESCOCC(C)/N=C(\NO)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O3/c1-11(10-25-2)22-15(23-24)14-7-4-8-21-16(14)26-13-6-3-5-12(9-13)17(18,19)20/h3-9,11,24H,10H2,1-2H3,(H,22,23)
InChIKeyZMHPLAOGDWNAGF-UHFFFAOYSA-N
XLogP3.65
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide (CID 56675607) is N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide is COCC(C)/N=C(\NO)c1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
The InChIKey is ZMHPLAOGDWNAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-11(10-25-2)22-15(23-24)14-7-4-8-21-16(14)26-13-6-3-5-12(9-13)17(18,19)20/h3-9,11,24H,10H2,1-2H3,(H,22,23).
What are the key properties of N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide has a molecular weight of 369.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 56675607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).