2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide

C22H22N2O — CID 156623671

IUPAC2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2ccc(C(N)=O)c(-c3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C22H22N2O/c1-13-7-14(2)10-17(9-13)20-6-5-19(22(23)25)21(24-20)18-11-15(3)8-16(4)12-18/h5-12H,1-4H3,(H2,23,25)
InChIKeyWFJARWVSCCBSGB-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.75
Rot. Bonds3

About 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide

2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 156623671) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID156623671
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2ccc(C(N)=O)c(-c3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C22H22N2O/c1-13-7-14(2)10-17(9-13)20-6-5-19(22(23)25)21(24-20)18-11-15(3)8-16(4)12-18/h5-12H,1-4H3,(H2,23,25)
InChIKeyWFJARWVSCCBSGB-UHFFFAOYSA-N
XLogP4.75
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide
CID 175791192
2-[[(2R)-1-aminobutan-2-yl]amino]-4-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 67003170
2,6-dimethylpyridine-3-carboxamide
CID 2824850
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
2-(3,5-dimethylphenyl)-6,7-diethylquinoline
CID 140607988
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline
CID 59010486
2,6-dimethylpyridine-3-carboxamide;hydrochloride
CID 67300853
4-methyl-2-sulfanylbenzamide
CID 89156088
2-acetyl-4-methylbenzamide
CID 163253724
2-chloro-6-(4-methoxyphenyl)pyridine-3-carboxamide;ethane
CID 145017918
6-(4-acetamidophenyl)-2-aminopyridine-3-carboxamide
CID 175249163

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide (CID 156623671) is 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(-c2ccc(C(N)=O)c(-c3cc(C)cc(C)c3)n2)c1.
What is the InChIKey of 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is WFJARWVSCCBSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-13-7-14(2)10-17(9-13)20-6-5-19(22(23)25)21(24-20)18-11-15(3)8-16(4)12-18/h5-12H,1-4H3,(H2,23,25).
What are the key properties of 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide?
2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 156623671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).