6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide

C22H21N3O4 — CID 109100075

IUPAC6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(C(=O)Nc3ccccc3C)n2)c1
InChIInChI=1S/C22H21N3O4/c1-14-7-4-5-8-16(14)24-21(26)17-9-6-10-18(23-17)22(27)25-19-13-15(28-2)11-12-20(19)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyABKSETNTZIIIIY-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.91
Rot. Bonds6

About 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide

6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109100075) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109100075
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(C(=O)Nc3ccccc3C)n2)c1
InChIInChI=1S/C22H21N3O4/c1-14-7-4-5-8-16(14)24-21(26)17-9-6-10-18(23-17)22(27)25-19-13-15(28-2)11-12-20(19)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyABKSETNTZIIIIY-UHFFFAOYSA-N
XLogP3.91
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide (CID 109100075) is 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide is COc1ccc(OC)c(NC(=O)c2cccc(C(=O)Nc3ccccc3C)n2)c1.
What is the InChIKey of 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is ABKSETNTZIIIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14-7-4-5-8-16(14)24-21(26)17-9-6-10-18(23-17)22(27)25-19-13-15(28-2)11-12-20(19)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide?
6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109100075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).