4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C15H17FN4O — CID 81038325

IUPAC4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N(C)c2ccc(F)cc2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C15H17FN4O/c1-9-8-13(14(10(2)18-9)15(17)19-21)20(3)12-6-4-11(16)5-7-12/h4-8,21H,1-3H3,(H2,17,19)
InChIKeyJMSYSCGOMNNRIX-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.70
Rot. Bonds3

About 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81038325) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81038325
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N(C)c2ccc(F)cc2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C15H17FN4O/c1-9-8-13(14(10(2)18-9)15(17)19-21)20(3)12-6-4-11(16)5-7-12/h4-8,21H,1-3H3,(H2,17,19)
InChIKeyJMSYSCGOMNNRIX-UHFFFAOYSA-N
XLogP2.70
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.70
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 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 81038325) is 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(N(C)c2ccc(F)cc2)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is JMSYSCGOMNNRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-9-8-13(14(10(2)18-9)15(17)19-21)20(3)12-6-4-11(16)5-7-12/h4-8,21H,1-3H3,(H2,17,19).
What are the key properties of 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 288.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81038325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).