5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide

C15H17FN4 — CID 63290756

IUPAC5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)Cc1cccnc1
InChIInChI=1S/C15H17FN4/c1-20(9-11-3-2-6-19-8-11)10-12-4-5-13(16)7-14(12)15(17)18/h2-8H,9-10H2,1H3,(H3,17,18)
InChIKeyHCJLXWYEISDQGL-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.14
Rot. Bonds5

About 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide

5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 63290756) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID63290756
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)Cc1cccnc1
InChIInChI=1S/C15H17FN4/c1-20(9-11-3-2-6-19-8-11)10-12-4-5-13(16)7-14(12)15(17)18/h2-8H,9-10H2,1H3,(H3,17,18)
InChIKeyHCJLXWYEISDQGL-UHFFFAOYSA-N
XLogP2.14
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide
CID 65488750
2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-fluorobenzenecarboximidamide
CID 63290672
5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290670
2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 81056626
3-[[(2-bromo-4-fluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 62967389
2-bromo-3-fluoro-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 107536326
5-fluoro-2-[[methyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 63290840
2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
CID 63290879
3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684033
3-[[(2-chloro-4-fluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 62968244
2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 63290799
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide (CID 63290756) is 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN(C)Cc1cccnc1.
What is the InChIKey of 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is HCJLXWYEISDQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-20(9-11-3-2-6-19-8-11)10-12-4-5-13(16)7-14(12)15(17)18/h2-8H,9-10H2,1H3,(H3,17,18).
What are the key properties of 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide?
5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 272.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63290756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).