6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide

C15H17FN4 — CID 64595166

IUPAC6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C15H17FN4/c1-10(11-6-3-4-7-12(11)16)20(2)14-9-5-8-13(19-14)15(17)18/h3-10H,1-2H3,(H3,17,18)
InChIKeyJGPZHZGITWLFMF-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.70
Rot. Bonds4

About 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide

6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide (PubChem CID 64595166) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
PubChem CID64595166
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C15H17FN4/c1-10(11-6-3-4-7-12(11)16)20(2)14-9-5-8-13(19-14)15(17)18/h3-10H,1-2H3,(H3,17,18)
InChIKeyJGPZHZGITWLFMF-UHFFFAOYSA-N
XLogP2.70
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.70
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

6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64594775
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide
CID 64596128
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930493
6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide
CID 64594960
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide
CID 62979001
pyridine-2,6-dicarboximidamide
CID 23373306
6-(2-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 64595176
3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine
CID 83034891
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
CID 55140097
2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550456
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide?
The IUPAC name of 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide (CID 64595166) is 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide?
The canonical SMILES for 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(N(C)C(C)c2ccccc2F)n1.
What is the InChIKey of 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide?
The InChIKey is JGPZHZGITWLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-10(11-6-3-4-7-12(11)16)20(2)14-9-5-8-13(19-14)15(17)18/h3-10H,1-2H3,(H3,17,18).
What are the key properties of 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide?
6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide has a molecular weight of 272.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide is sourced from PubChem (CID 64595166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).