2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine

C22H26N4 — CID 135191670

IUPAC2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine
SMILESCc1cc(Nc2c(C)cccc2C)nc(Nc2c(C)cccc2C)c1N
InChIInChI=1S/C22H26N4/c1-13-8-6-9-14(2)20(13)24-18-12-17(5)19(23)22(25-18)26-21-15(3)10-7-11-16(21)4/h6-12H,23H2,1-5H3,(H2,24,25,26)
InChIKeyZVJRBKGRDIHNNQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP5.69
Rot. Bonds4

About 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine

2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine (PubChem CID 135191670) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine
PubChem CID135191670
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine
SMILESCc1cc(Nc2c(C)cccc2C)nc(Nc2c(C)cccc2C)c1N
InChIInChI=1S/C22H26N4/c1-13-8-6-9-14(2)20(13)24-18-12-17(5)19(23)22(25-18)26-21-15(3)10-7-11-16(21)4/h6-12H,23H2,1-5H3,(H2,24,25,26)
InChIKeyZVJRBKGRDIHNNQ-UHFFFAOYSA-N
XLogP5.69
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine 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 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine?
The IUPAC name of 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine (CID 135191670) is 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine.
What is the SMILES notation for 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine?
The canonical SMILES for 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine is Cc1cc(Nc2c(C)cccc2C)nc(Nc2c(C)cccc2C)c1N.
What is the InChIKey of 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine?
The InChIKey is ZVJRBKGRDIHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-13-8-6-9-14(2)20(13)24-18-12-17(5)19(23)22(25-18)26-21-15(3)10-7-11-16(21)4/h6-12H,23H2,1-5H3,(H2,24,25,26).
What are the key properties of 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine?
2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine has a molecular weight of 346.48 g/mol, XLogP of 5.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2,6-dimethylphenyl)-4-methylpyridine-2,3,6-triamine is sourced from PubChem (CID 135191670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).