5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide

C15H17FN4O — CID 76994503

IUPAC5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILESCN(Cc1ccccn1)Cc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C15H17FN4O/c1-20(10-13-4-2-3-7-18-13)9-11-5-6-12(16)8-14(11)15(17)19-21/h2-8,21H,9-10H2,1H3,(H2,17,19)
InChIKeySLTINWFGRZZMQB-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.95
Rot. Bonds5

About 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 76994503) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID76994503
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILESCN(Cc1ccccn1)Cc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C15H17FN4O/c1-20(10-13-4-2-3-7-18-13)9-11-5-6-12(16)8-14(11)15(17)19-21/h2-8,21H,9-10H2,1H3,(H2,17,19)
InChIKeySLTINWFGRZZMQB-UHFFFAOYSA-N
XLogP1.95
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.95
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'}

Analyze 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N'-hydroxy-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76994396
5-fluoro-N'-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarboximidamide
CID 76994264
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994242
5-fluoro-2-[(3-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76994464
5-fluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]benzenecarboximidamide
CID 76994245
4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81273408
4-fluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzenecarbothioamide
CID 64765776
2-[[bis(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994352
5-fluoro-N'-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 76994502
2-[[bis(2-methylpropyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994337
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide (CID 76994503) is 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide is CN(Cc1ccccn1)Cc1ccc(F)cc1C(N)=NO.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is SLTINWFGRZZMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-20(10-13-4-2-3-7-18-13)9-11-5-6-12(16)8-14(11)15(17)19-21/h2-8,21H,9-10H2,1H3,(H2,17,19).
What are the key properties of 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 288.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 76994503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).