3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide

C11H14BrN3O — CID 178028023

IUPAC3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide
SMILESC/N=C(\Br)c1cc(C)n(C2CC2)c(=O)c1N
InChIInChI=1S/C11H14BrN3O/c1-6-5-8(10(12)14-2)9(13)11(16)15(6)7-3-4-7/h5,7H,3-4,13H2,1-2H3/b14-10-
InChIKeyFOAWGIYXPAKQFK-UVTDQMKNSA-N
MW284.16 g/mol
LogP1.85
Rot. Bonds2

About 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide

3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide (PubChem CID 178028023) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide
PubChem CID178028023
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide
SMILESC/N=C(\Br)c1cc(C)n(C2CC2)c(=O)c1N
InChIInChI=1S/C11H14BrN3O/c1-6-5-8(10(12)14-2)9(13)11(16)15(6)7-3-4-7/h5,7H,3-4,13H2,1-2H3/b14-10-
InChIKeyFOAWGIYXPAKQFK-UVTDQMKNSA-N
XLogP1.85
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide 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

3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one
CID 82466701
1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
CID 82526094
3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
CID 82525165
6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
CID 146546193
5-bromo-2-cyclopropyl-3-methylisoquinolin-1-one
CID 82378708
1-cyclopropyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82525216
ethyl 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoacetate
CID 2321557
3-amino-5-chloro-1-cyclopropyl-4,6-dimethylpyridin-2-one
CID 105466410
1-cyclopentyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
CID 82525770
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 8646840
3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one
CID 82188971
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-methylbutan-1-one
CID 82493930

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide?
The IUPAC name of 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide (CID 178028023) is 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide.
What is the SMILES notation for 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide?
The canonical SMILES for 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide is C/N=C(\Br)c1cc(C)n(C2CC2)c(=O)c1N.
What is the InChIKey of 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide?
The InChIKey is FOAWGIYXPAKQFK-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-6-5-8(10(12)14-2)9(13)11(16)15(6)7-3-4-7/h5,7H,3-4,13H2,1-2H3/b14-10-.
What are the key properties of 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide?
3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide has a molecular weight of 284.16 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-N,6-dimethyl-2-oxopyridine-4-carboximidoyl bromide is sourced from PubChem (CID 178028023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).