3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide

C11H15F3N4O2 — CID 103369453

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide
SMILESCOc1ncccc1CNCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c1-20-10-7(3-2-4-17-10)5-16-6-8(9(15)18-19)11(12,13)14/h2-4,8,16,19H,5-6H2,1H3,(H2,15,18)
InChIKeyAAJSCMHZAIZQAJ-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.10
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide (PubChem CID 103369453) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide
PubChem CID103369453
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide
SMILESCOc1ncccc1CNCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c1-20-10-7(3-2-4-17-10)5-16-6-8(9(15)18-19)11(12,13)14/h2-4,8,16,19H,5-6H2,1H3,(H2,15,18)
InChIKeyAAJSCMHZAIZQAJ-UHFFFAOYSA-N
XLogP1.10
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.10
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide
CID 103370234
N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77026755
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 63933376
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
1-(2,5-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60910476
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876007
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide
CID 103370255
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide (CID 103369453) is 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide is COc1ncccc1CNCC(/C(N)=N/O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide?
The InChIKey is AAJSCMHZAIZQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-20-10-7(3-2-4-17-10)5-16-6-8(9(15)18-19)11(12,13)14/h2-4,8,16,19H,5-6H2,1H3,(H2,15,18).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide has a molecular weight of 292.26 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide is sourced from PubChem (CID 103369453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).