2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide

C21H19N3O2 — CID 109097257

IUPAC2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-10-12-17(13-11-15)23-21(26)19-9-5-8-18(24-19)20(25)22-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyCKFTWGIGQXTGJG-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.57
Rot. Bonds5

About 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide

2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109097257) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109097257
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-10-12-17(13-11-15)23-21(26)19-9-5-8-18(24-19)20(25)22-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyCKFTWGIGQXTGJG-UHFFFAOYSA-N
XLogP3.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
6-N-(4-methoxyphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097550
methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109097311
6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097568
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
2-N-benzyl-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109097324
2-N-[(4-chlorophenyl)methyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109097951

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide (CID 109097257) is 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is CKFTWGIGQXTGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-10-12-17(13-11-15)23-21(26)19-9-5-8-18(24-19)20(25)22-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide?
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).