N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

C14H19FN4 — CID 139398772

IUPACN'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccccc2F)CN(C)CC1
InChIInChI=1S/C14H19FN4/c1-17-12-7-8-19(2)9-10(12)14(16)18-13-6-4-3-5-11(13)15/h3-6,17H,7-9H2,1-2H3,(H2,16,18)
InChIKeyJQAZGVBKUFJYED-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.62
Rot. Bonds3

About N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 139398772) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
PubChem CID139398772
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccccc2F)CN(C)CC1
InChIInChI=1S/C14H19FN4/c1-17-12-7-8-19(2)9-10(12)14(16)18-13-6-4-3-5-11(13)15/h3-6,17H,7-9H2,1-2H3,(H2,16,18)
InChIKeyJQAZGVBKUFJYED-UHFFFAOYSA-N
XLogP1.62
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The IUPAC name of N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 139398772) is N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.
What is the SMILES notation for N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The canonical SMILES for N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is CNC1=C(/C(N)=N/c2ccccc2F)CN(C)CC1.
What is the InChIKey of N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The InChIKey is JQAZGVBKUFJYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-17-12-7-8-19(2)9-10(12)14(16)18-13-6-4-3-5-11(13)15/h3-6,17H,7-9H2,1-2H3,(H2,16,18).
What are the key properties of N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 262.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 139398772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).