5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide

C12H19FN4 — CID 123830971

IUPAC5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide
SMILES[H]/N=C(\N(C(C)C)C(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C12H19FN4/c1-8(2)17(9(3)4)12(15)16-7-10(13)5-6-11(16)14/h5-9,14-15H,1-4H3/b14-11+,15-12-
InChIKeyJDMBNGLBOGREST-ADBGAXBCSA-N
MW238.31 g/mol
LogP2.01
Rot. Bonds2

About 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide

5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide (PubChem CID 123830971) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide.

Molecular Properties

Compound Name5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide
PubChem CID123830971
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide
SMILES[H]/N=C(\N(C(C)C)C(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C12H19FN4/c1-8(2)17(9(3)4)12(15)16-7-10(13)5-6-11(16)14/h5-9,14-15H,1-4H3/b14-11+,15-12-
InChIKeyJDMBNGLBOGREST-ADBGAXBCSA-N
XLogP2.01
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.01
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'}

Analyze 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Fluoro-1-(4-methyl-1,4-diazepane-1-carboximidoyl)pyridin-2-imine
CID 89624863
5-fluoro-1-[(2S)-2-methylpiperidine-1-carboximidoyl]pyridin-2-imine
CID 89624956
5-Fluoro-1-(4-methylpiperazine-1-carboximidoyl)pyridin-2-imine
CID 89624970
1-(2,6-Dimethylpiperidine-1-carboximidoyl)-5-fluoropyridin-2-imine
CID 123441313
5-Fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine
CID 123569173
1-Ethanimidoyl-5-fluoropyridin-2-imine
CID 123588695
5-fluoro-2-imino-N'-methylpyridine-1-carboximidamide
CID 123588784
5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide
CID 123619854
1-(5-fluoro-2-imino-1-pyridinyl)-N,N-dimethylmethanamine
CID 123992421
2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine
CID 129302384
1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine
CID 130306321
5-fluoro-2-imino-N,N-dimethylpyridine-1-carboximidamide
CID 130313392

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide?
The IUPAC name of 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide (CID 123830971) is 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide.
What is the SMILES notation for 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide?
The canonical SMILES for 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide is [H]/N=C(\N(C(C)C)C(C)C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide?
The InChIKey is JDMBNGLBOGREST-ADBGAXBCSA-N. The full InChI is InChI=1S/C12H19FN4/c1-8(2)17(9(3)4)12(15)16-7-10(13)5-6-11(16)14/h5-9,14-15H,1-4H3/b14-11+,15-12-.
What are the key properties of 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide?
5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide has a molecular weight of 238.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide is sourced from PubChem (CID 123830971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).