5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine

C13H19FN4 — CID 123505765

IUPAC5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine
SMILES[H]/N=C(/n1cc(F)cc/c1=N\[H])C(C)(C)N1CCCC1
InChIInChI=1S/C13H19FN4/c1-13(2,17-7-3-4-8-17)12(16)18-9-10(14)5-6-11(18)15/h5-6,9,15-16H,3-4,7-8H2,1-2H3/b15-11+,16-12+
InChIKeyBASJVMCZKVBZBL-JOBJLJCHSA-N
MW250.32 g/mol
LogP1.81
Rot. Bonds2

About 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine

5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine (PubChem CID 123505765) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine
PubChem CID123505765
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine
SMILES[H]/N=C(/n1cc(F)cc/c1=N\[H])C(C)(C)N1CCCC1
InChIInChI=1S/C13H19FN4/c1-13(2,17-7-3-4-8-17)12(16)18-9-10(14)5-6-11(18)15/h5-6,9,15-16H,3-4,7-8H2,1-2H3/b15-11+,16-12+
InChIKeyBASJVMCZKVBZBL-JOBJLJCHSA-N
XLogP1.81
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine?
The IUPAC name of 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine (CID 123505765) is 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine is [H]/N=C(/n1cc(F)cc/c1=N\[H])C(C)(C)N1CCCC1.
What is the InChIKey of 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine?
The InChIKey is BASJVMCZKVBZBL-JOBJLJCHSA-N. The full InChI is InChI=1S/C13H19FN4/c1-13(2,17-7-3-4-8-17)12(16)18-9-10(14)5-6-11(18)15/h5-6,9,15-16H,3-4,7-8H2,1-2H3/b15-11+,16-12+.
What are the key properties of 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine?
5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine has a molecular weight of 250.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine is sourced from PubChem (CID 123505765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).