2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide

C13H20N4 — CID 79188625

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N1CC(C)C(C)C1
InChIInChI=1S/C13H20N4/c1-8-6-17(7-9(8)2)13-11(12(14)15)5-4-10(3)16-13/h4-5,8-9H,6-7H2,1-3H3,(H3,14,15)
InChIKeyGXHQMHHXSAMVSF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.77
Rot. Bonds2

About 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide

2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide (PubChem CID 79188625) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide
PubChem CID79188625
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N1CC(C)C(C)C1
InChIInChI=1S/C13H20N4/c1-8-6-17(7-9(8)2)13-11(12(14)15)5-4-10(3)16-13/h4-5,8-9H,6-7H2,1-3H3,(H3,14,15)
InChIKeyGXHQMHHXSAMVSF-UHFFFAOYSA-N
XLogP1.77
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.77
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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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 104958903
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 81096579
6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 113417646
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 114777093
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 81203604
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide
CID 82750589
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 104958902
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide
CID 80513468
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
2-(3,4-dimethoxypyrrolidin-1-yl)-6-methylpyridine-3-carbothioamide
CID 103533673
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 104958843
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 61175005

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide (CID 79188625) is 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)nc1N1CC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide?
The InChIKey is GXHQMHHXSAMVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8-6-17(7-9(8)2)13-11(12(14)15)5-4-10(3)16-13/h4-5,8-9H,6-7H2,1-3H3,(H3,14,15).
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide?
2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide has a molecular weight of 232.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 79188625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).