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

C10H15FN4O — CID 76910802

IUPAC3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)c1ccc(F)cn1)C(N)=NO
InChIInChI=1S/C10H15FN4O/c1-7(10(12)14-16)6-15(2)9-4-3-8(11)5-13-9/h3-5,7,16H,6H2,1-2H3,(H2,12,14)
InChIKeyAXLNLJOKRBBKNW-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.04
Rot. Bonds4

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

3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910802) has the molecular formula C10H15FN4O and a molecular weight of 226.26 g/mol. Its IUPAC name is 3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910802
Molecular FormulaC10H15FN4O
Molecular Weight226.26 g/mol
Exact Mass226.12
IUPAC Name3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)c1ccc(F)cn1)C(N)=NO
InChIInChI=1S/C10H15FN4O/c1-7(10(12)14-16)6-15(2)9-4-3-8(11)5-13-9/h3-5,7,16H,6H2,1-2H3,(H2,12,14)
InChIKeyAXLNLJOKRBBKNW-UHFFFAOYSA-N
XLogP1.04
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 76910802) is 3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)c1ccc(F)cn1)C(N)=NO.
What is the InChIKey of 3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is AXLNLJOKRBBKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-7(10(12)14-16)6-15(2)9-4-3-8(11)5-13-9/h3-5,7,16H,6H2,1-2H3,(H2,12,14).
What are the key properties of 3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 226.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).