4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide

C11H13N5 — CID 81052434

IUPAC4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-n2ccnc2)cc(C)nc1C
InChIInChI=1S/C11H13N5/c1-7-5-9(16-4-3-14-6-16)10(11(12)13)8(2)15-7/h3-6H,1-2H3,(H3,12,13)
InChIKeyHGCATHIOEXMOGN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.17
Rot. Bonds2

About 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide

4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81052434) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81052434
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-n2ccnc2)cc(C)nc1C
InChIInChI=1S/C11H13N5/c1-7-5-9(16-4-3-14-6-16)10(11(12)13)8(2)15-7/h3-6H,1-2H3,(H3,12,13)
InChIKeyHGCATHIOEXMOGN-UHFFFAOYSA-N
XLogP1.17
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.17
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 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide (CID 81052434) is 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(-n2ccnc2)cc(C)nc1C.
What is the InChIKey of 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is HGCATHIOEXMOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7-5-9(16-4-3-14-6-16)10(11(12)13)8(2)15-7/h3-6H,1-2H3,(H3,12,13).
What are the key properties of 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide?
4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 215.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81052434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).