2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide

C22H21N3O2 — CID 109097211

IUPAC2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C22H21N3O2/c1-16-8-5-6-11-18(16)15-24-22(27)20-13-7-12-19(25-20)21(26)23-14-17-9-3-2-4-10-17/h2-13H,14-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyWTJVPPLBTUDCNL-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.25
Rot. Bonds6

About 2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide

2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide (PubChem CID 109097211) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
PubChem CID109097211
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C22H21N3O2/c1-16-8-5-6-11-18(16)15-24-22(27)20-13-7-12-19(25-20)21(26)23-14-17-9-3-2-4-10-17/h2-13H,14-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyWTJVPPLBTUDCNL-UHFFFAOYSA-N
XLogP3.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2,3-dimethylphenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097371
6-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094588
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
6-N-(3-chloro-2-methylphenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097382
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257
6-N-(3-fluorophenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097396
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-[(2-methylphenyl)methyl]-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095422
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide (CID 109097211) is 2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide is Cc1ccccc1CNC(=O)c1cccc(C(=O)NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
The InChIKey is WTJVPPLBTUDCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-8-5-6-11-18(16)15-24-22(27)20-13-7-12-19(25-20)21(26)23-14-17-9-3-2-4-10-17/h2-13H,14-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.25, 6 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-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).