3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide

C10H14F2N4O — CID 103958277

IUPAC3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)c1ncc(F)cc1F)C(N)=NO
InChIInChI=1S/C10H14F2N4O/c1-6(9(13)15-17)5-16(2)10-8(12)3-7(11)4-14-10/h3-4,6,17H,5H2,1-2H3,(H2,13,15)
InChIKeyWGVUBKAQRNFYHK-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.18
Rot. Bonds4

About 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 103958277) has the molecular formula C10H14F2N4O and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID103958277
Molecular FormulaC10H14F2N4O
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)c1ncc(F)cc1F)C(N)=NO
InChIInChI=1S/C10H14F2N4O/c1-6(9(13)15-17)5-16(2)10-8(12)3-7(11)4-14-10/h3-4,6,17H,5H2,1-2H3,(H2,13,15)
InChIKeyWGVUBKAQRNFYHK-UHFFFAOYSA-N
XLogP1.18
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
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-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910802
3-[(3,5-difluoro-2-pyridinyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 103958279
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 112675422
3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 114084409
N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
CID 114570754
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992230
N'-hydroxy-3-[(7-hydroxyisoquinolin-1-yl)-methylamino]-2-methylpropanimidamide
CID 106537045
N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide
CID 76981212
N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 54992328
3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55155638
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76950514

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 103958277) is 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)c1ncc(F)cc1F)C(N)=NO.
What is the InChIKey of 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is WGVUBKAQRNFYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-6(9(13)15-17)5-16(2)10-8(12)3-7(11)4-14-10/h3-4,6,17H,5H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 244.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 103958277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).