4-methoxy-2,6-dimethylpyridine-3-carboximidamide

C9H13N3O — CID 81052054

IUPAC4-methoxy-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OC)cc(C)nc1C
InChIInChI=1S/C9H13N3O/c1-5-4-7(13-3)8(9(10)11)6(2)12-5/h4H,1-3H3,(H3,10,11)
InChIKeySFUQGZNGHXOINT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.99
Rot. Bonds2

About 4-methoxy-2,6-dimethylpyridine-3-carboximidamide

4-methoxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81052054) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81052054
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-methoxy-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OC)cc(C)nc1C
InChIInChI=1S/C9H13N3O/c1-5-4-7(13-3)8(9(10)11)6(2)12-5/h4H,1-3H3,(H3,10,11)
InChIKeySFUQGZNGHXOINT-UHFFFAOYSA-N
XLogP0.99
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.99
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'}

Analyze 4-methoxy-2,6-dimethylpyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-methoxy-2,6-dimethylpyridine-3-carboximidamide (CID 81052054) is 4-methoxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-methoxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-methoxy-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(OC)cc(C)nc1C.
What is the InChIKey of 4-methoxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is SFUQGZNGHXOINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-5-4-7(13-3)8(9(10)11)6(2)12-5/h4H,1-3H3,(H3,10,11).
What are the key properties of 4-methoxy-2,6-dimethylpyridine-3-carboximidamide?
4-methoxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 179.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81052054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).