3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide

C13H14N4 — CID 134374715

IUPAC3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1nc(-c2ccc(C)cc2)ccc1N
InChIInChI=1S/C13H14N4/c1-8-2-4-9(5-3-8)11-7-6-10(14)12(17-11)13(15)16/h2-7H,14H2,1H3,(H3,15,16)
InChIKeyOMBRLDISNBGGID-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.92
Rot. Bonds2

About 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide

3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide (PubChem CID 134374715) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide
PubChem CID134374715
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1nc(-c2ccc(C)cc2)ccc1N
InChIInChI=1S/C13H14N4/c1-8-2-4-9(5-3-8)11-7-6-10(14)12(17-11)13(15)16/h2-7H,14H2,1H3,(H3,15,16)
InChIKeyOMBRLDISNBGGID-UHFFFAOYSA-N
XLogP1.92
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.92
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'}

Analyze 3-amino-6-(4-methylphenyl)pyridine-2-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 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide?
The IUPAC name of 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide (CID 134374715) is 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide?
The canonical SMILES for 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1nc(-c2ccc(C)cc2)ccc1N.
What is the InChIKey of 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide?
The InChIKey is OMBRLDISNBGGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-2-4-9(5-3-8)11-7-6-10(14)12(17-11)13(15)16/h2-7H,14H2,1H3,(H3,15,16).
What are the key properties of 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide?
3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide has a molecular weight of 226.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide is sourced from PubChem (CID 134374715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).