5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide

C15H17FN4 — CID 63673073

IUPAC5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)CCc1ccncc1
InChIInChI=1S/C15H17FN4/c1-20(9-6-11-4-7-19-8-5-11)14-3-2-12(16)10-13(14)15(17)18/h2-5,7-8,10H,6,9H2,1H3,(H3,17,18)
InChIKeyBHCSFCNIIQHAQC-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.18
Rot. Bonds5

About 5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide

5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide (PubChem CID 63673073) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
PubChem CID63673073
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)CCc1ccncc1
InChIInChI=1S/C15H17FN4/c1-20(9-6-11-4-7-19-8-5-11)14-3-2-12(16)10-13(14)15(17)18/h2-5,7-8,10H,6,9H2,1H3,(H3,17,18)
InChIKeyBHCSFCNIIQHAQC-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
3-bromo-4-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 82799848
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 63668335
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793781
5-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 107928594
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
2-bromo-3-fluoro-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 107536523
2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide
CID 63673253
5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide
CID 65488750
N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 76883719

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide (CID 63673073) is 5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N(C)CCc1ccncc1.
What is the InChIKey of 5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The InChIKey is BHCSFCNIIQHAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-20(9-6-11-4-7-19-8-5-11)14-3-2-12(16)10-13(14)15(17)18/h2-5,7-8,10H,6,9H2,1H3,(H3,17,18).
What are the key properties of 5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide has a molecular weight of 272.33 g/mol, XLogP of 2.18, 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(2-pyridin-4-ylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 63673073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).