4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide

C12H20N4O2S — CID 79849915

IUPAC4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H20N4O2S/c1-8-7-9(2)15-12(10(8)11(13)14)16(3)5-6-19(4,17)18/h7H,5-6H2,1-4H3,(H3,13,14)
InChIKeyOYRYLMWJJHKPNS-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.46
Rot. Bonds5

About 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide

4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide (PubChem CID 79849915) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide
PubChem CID79849915
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H20N4O2S/c1-8-7-9(2)15-12(10(8)11(13)14)16(3)5-6-19(4,17)18/h7H,5-6H2,1-4H3,(H3,13,14)
InChIKeyOYRYLMWJJHKPNS-UHFFFAOYSA-N
XLogP0.46
TPSA100.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide?
The IUPAC name of 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide (CID 79849915) is 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1N(C)CCS(C)(=O)=O.
What is the InChIKey of 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide?
The InChIKey is OYRYLMWJJHKPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8-7-9(2)15-12(10(8)11(13)14)16(3)5-6-19(4,17)18/h7H,5-6H2,1-4H3,(H3,13,14).
What are the key properties of 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide?
4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide has a molecular weight of 284.38 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 79849915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).