3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid

C21H27N3O6S2 — CID 162337786

IUPAC3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.Cc1cc(Nc2ccccc2)nc(Nc2ccccc2)c1C
InChIInChI=1S/C19H19N3.2CH4O3S/c1-14-13-18(20-16-9-5-3-6-10-16)22-19(15(14)2)21-17-11-7-4-8-12-17;2*1-5(2,3)4/h3-13H,1-2H3,(H2,20,21,22);2*1H3,(H,2,3,4)
InChIKeyVAYRRIDSXHWVGY-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.19
Rot. Bonds4

About 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid

3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid (PubChem CID 162337786) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid.

Molecular Properties

Compound Name3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid
PubChem CID162337786
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.Cc1cc(Nc2ccccc2)nc(Nc2ccccc2)c1C
InChIInChI=1S/C19H19N3.2CH4O3S/c1-14-13-18(20-16-9-5-3-6-10-16)22-19(15(14)2)21-17-11-7-4-8-12-17;2*1-5(2,3)4/h3-13H,1-2H3,(H2,20,21,22);2*1H3,(H,2,3,4)
InChIKeyVAYRRIDSXHWVGY-UHFFFAOYSA-N
XLogP4.19
TPSA145.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid
CID 59010294
methanesulfonic acid;methyl 2,6-dianilino-4,5-dimethylpyridine-3-carboxylate
CID 162317201
4-methyl-N-phenylquinolin-2-amine
CID 616278
methanesulfonic acid;5-methyl-2-N,4-N,6-N-triphenylpyrimidine-2,4,6-triamine;trioxidanylsulfanylmethane
CID 159056252
4,5,7-trimethyl-N-phenylquinolin-2-amine
CID 740918
N-phenylaniline;sulfuric acid
CID 11486
6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid
CID 13227966
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
4-anilino-6-methyl-1H-pyrimidin-2-one
CID 13063757
3,5-bis[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid
CID 21351802
2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 154780681

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid?
The IUPAC name of 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid (CID 162337786) is 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid.
What is the SMILES notation for 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid?
The canonical SMILES for 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid is CS(=O)(=O)O.CS(=O)(=O)O.Cc1cc(Nc2ccccc2)nc(Nc2ccccc2)c1C.
What is the InChIKey of 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid?
The InChIKey is VAYRRIDSXHWVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3.2CH4O3S/c1-14-13-18(20-16-9-5-3-6-10-16)22-19(15(14)2)21-17-11-7-4-8-12-17;2*1-5(2,3)4/h3-13H,1-2H3,(H2,20,21,22);2*1H3,(H,2,3,4).
What are the key properties of 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid?
3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid has a molecular weight of 481.60 g/mol, XLogP of 4.19, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid is sourced from PubChem (CID 162337786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).