6-(methylaminomethyl)pyridine-3-carboximidamide

C8H12N4 — CID 145206932

IUPAC6-(methylaminomethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CNC)nc1
InChIInChI=1S/C8H12N4/c1-11-5-7-3-2-6(4-12-7)8(9)10/h2-4,11H,5H2,1H3,(H3,9,10)
InChIKeyXYLJFXHSNKRRQK-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.09
Rot. Bonds3

About 6-(methylaminomethyl)pyridine-3-carboximidamide

6-(methylaminomethyl)pyridine-3-carboximidamide (PubChem CID 145206932) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-(methylaminomethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(methylaminomethyl)pyridine-3-carboximidamide
PubChem CID145206932
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name6-(methylaminomethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CNC)nc1
InChIInChI=1S/C8H12N4/c1-11-5-7-3-2-6(4-12-7)8(9)10/h2-4,11H,5H2,1H3,(H3,9,10)
InChIKeyXYLJFXHSNKRRQK-UHFFFAOYSA-N
XLogP0.09
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)pyridine-3-carboximidamide?
The IUPAC name of 6-(methylaminomethyl)pyridine-3-carboximidamide (CID 145206932) is 6-(methylaminomethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(methylaminomethyl)pyridine-3-carboximidamide?
The canonical SMILES for 6-(methylaminomethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(CNC)nc1.
What is the InChIKey of 6-(methylaminomethyl)pyridine-3-carboximidamide?
The InChIKey is XYLJFXHSNKRRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-11-5-7-3-2-6(4-12-7)8(9)10/h2-4,11H,5H2,1H3,(H3,9,10).
What are the key properties of 6-(methylaminomethyl)pyridine-3-carboximidamide?
6-(methylaminomethyl)pyridine-3-carboximidamide has a molecular weight of 164.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 145206932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).