3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide

C11H15F3N4O — CID 103370234

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide
SMILESCc1cnccc1CNCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-7-4-16-3-2-8(7)5-17-6-9(10(15)18-19)11(12,13)14/h2-4,9,17,19H,5-6H2,1H3,(H2,15,18)
InChIKeySBTFYGIDJGYWHT-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.40
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide (PubChem CID 103370234) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide
PubChem CID103370234
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide
SMILESCc1cnccc1CNCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-7-4-16-3-2-8(7)5-17-6-9(10(15)18-19)11(12,13)14/h2-4,9,17,19H,5-6H2,1H3,(H2,15,18)
InChIKeySBTFYGIDJGYWHT-UHFFFAOYSA-N
XLogP1.40
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]propanimidamide
CID 103370242
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide
CID 103369453
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]propanimidamide
CID 103369627
2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
CID 114699734
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide
CID 103369562
3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide
CID 103369564
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-ylanilino)methyl]propanimidamide
CID 103369528
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
3,3,3-trifluoro-N'-hydroxy-2-[[[(1S)-1-phenylethyl]amino]methyl]propanimidamide
CID 103369723
2-fluoro-N'-hydroxy-3-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 107117509

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide (CID 103370234) is 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide is Cc1cnccc1CNCC(/C(N)=N/O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide?
The InChIKey is SBTFYGIDJGYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-7-4-16-3-2-8(7)5-17-6-9(10(15)18-19)11(12,13)14/h2-4,9,17,19H,5-6H2,1H3,(H2,15,18).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide has a molecular weight of 276.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]propanimidamide is sourced from PubChem (CID 103370234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).