3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide

C23H24N4O2 — CID 109106467

IUPAC3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2cncc(C(=O)N(C)CCc3ccncc3)c2)c1C
InChIInChI=1S/C23H24N4O2/c1-16-5-4-6-21(17(16)2)26-22(28)19-13-20(15-25-14-19)23(29)27(3)12-9-18-7-10-24-11-8-18/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,26,28)
InChIKeyWWWCAEXXVIEPMA-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.66
Rot. Bonds6

About 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide

3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 109106467) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID109106467
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2cncc(C(=O)N(C)CCc3ccncc3)c2)c1C
InChIInChI=1S/C23H24N4O2/c1-16-5-4-6-21(17(16)2)26-22(28)19-13-20(15-25-14-19)23(29)27(3)12-9-18-7-10-24-11-8-18/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,26,28)
InChIKeyWWWCAEXXVIEPMA-UHFFFAOYSA-N
XLogP3.66
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473
3-N-(2,3-dimethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106753
2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109260609
5-N-methyl-3-N-propan-2-yl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101373
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
5-N-(2,3-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102194
N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214757
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048101
5-N-(2,3-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105213

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (CID 109106467) is 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is Cc1cccc(NC(=O)c2cncc(C(=O)N(C)CCc3ccncc3)c2)c1C.
What is the InChIKey of 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is WWWCAEXXVIEPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-5-4-6-21(17(16)2)26-22(28)19-13-20(15-25-14-19)23(29)27(3)12-9-18-7-10-24-11-8-18/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,26,28).
What are the key properties of 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).