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

C21H19N3O2 — CID 109085321

IUPAC4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)NCc3ccccc3)ccn2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-7-9-18(10-8-15)24-21(26)19-13-17(11-12-22-19)20(25)23-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyWCQPPOQQIPKCDC-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.57
Rot. Bonds5

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

4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109085321) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109085321
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)NCc3ccccc3)ccn2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-7-9-18(10-8-15)24-21(26)19-13-17(11-12-22-19)20(25)23-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyWCQPPOQQIPKCDC-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

2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085444
2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085894
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
4-N-[(4-methylphenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085890
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
2-N-(2-ethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085904
2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087382
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide (CID 109085321) is 4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2cc(C(=O)NCc3ccccc3)ccn2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is WCQPPOQQIPKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-7-9-18(10-8-15)24-21(26)19-13-17(11-12-22-19)20(25)23-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-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 4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).