3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide

C14H15FN4O — CID 43658182

IUPAC3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
SMILESCN(Cc1cccnc1)c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C14H15FN4O/c1-19(9-10-3-2-6-17-8-10)13-5-4-11(7-12(13)15)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyFUPZAHLHAUTOML-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.95
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide (PubChem CID 43658182) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
PubChem CID43658182
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
SMILESCN(Cc1cccnc1)c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C14H15FN4O/c1-19(9-10-3-2-6-17-8-10)13-5-4-11(7-12(13)15)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyFUPZAHLHAUTOML-UHFFFAOYSA-N
XLogP1.95
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
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'}

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Related Compounds

2-bromo-3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 107535835
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
4-[benzyl(methyl)amino]-3-bromo-N'-hydroxybenzenecarboximidamide
CID 82799905
3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 54933735
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563618
3-chloro-N'-hydroxy-2-[methyl(pyridin-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739305
4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 66099878
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147
5-methyl-2-[methyl(pyridin-3-ylmethyl)amino]benzenecarbothioamide
CID 107928562
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934994
3-fluoro-N'-hydroxy-4-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 81055754

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide (CID 43658182) is 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide is CN(Cc1cccnc1)c1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is FUPZAHLHAUTOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-19(9-10-3-2-6-17-8-10)13-5-4-11(7-12(13)15)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18).
What are the key properties of 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 274.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 43658182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).