2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide

C15H17FN4O — CID 137013536

IUPAC2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCCN(c1ccc(F)cc1)c1cc(/C(N)=N/O)cc(C)n1
InChIInChI=1S/C15H17FN4O/c1-3-20(13-6-4-12(16)5-7-13)14-9-11(15(17)19-21)8-10(2)18-14/h4-9,21H,3H2,1-2H3,(H2,17,19)
InChIKeyXVHRMIBYUOUSDP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.78
Rot. Bonds4

About 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013536) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013536
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCCN(c1ccc(F)cc1)c1cc(/C(N)=N/O)cc(C)n1
InChIInChI=1S/C15H17FN4O/c1-3-20(13-6-4-12(16)5-7-13)14-9-11(15(17)19-21)8-10(2)18-14/h4-9,21H,3H2,1-2H3,(H2,17,19)
InChIKeyXVHRMIBYUOUSDP-UHFFFAOYSA-N
XLogP2.78
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.78
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 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013536) is 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide is CCN(c1ccc(F)cc1)c1cc(/C(N)=N/O)cc(C)n1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is XVHRMIBYUOUSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-20(13-6-4-12(16)5-7-13)14-9-11(15(17)19-21)8-10(2)18-14/h4-9,21H,3H2,1-2H3,(H2,17,19).
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 288.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).