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

C11H17FN4O — CID 114084409

IUPAC3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)Cc1cncc(F)c1)/C(N)=N/O
InChIInChI=1S/C11H17FN4O/c1-8(11(13)15-17)6-16(2)7-9-3-10(12)5-14-4-9/h3-5,8,17H,6-7H2,1-2H3,(H2,13,15)
InChIKeyGQQQYODKQBJZKW-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.03
Rot. Bonds5

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

3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 114084409) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID114084409
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)Cc1cncc(F)c1)/C(N)=N/O
InChIInChI=1S/C11H17FN4O/c1-8(11(13)15-17)6-16(2)7-9-3-10(12)5-14-4-9/h3-5,8,17H,6-7H2,1-2H3,(H2,13,15)
InChIKeyGQQQYODKQBJZKW-UHFFFAOYSA-N
XLogP1.03
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.03
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-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 114084409) is 3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)Cc1cncc(F)c1)/C(N)=N/O.
What is the InChIKey of 3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is GQQQYODKQBJZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-8(11(13)15-17)6-16(2)7-9-3-10(12)5-14-4-9/h3-5,8,17H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 240.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 114084409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).