2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide

C22H21N3O2 — CID 109085391

IUPAC2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H21N3O2/c1-16-7-5-6-10-19(16)15-25-21(26)18-11-12-23-20(13-18)22(27)24-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyISDBCZFSQZEITQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.25
Rot. Bonds6

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

2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109085391) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109085391
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H21N3O2/c1-16-7-5-6-10-19(16)15-25-21(26)18-11-12-23-20(13-18)22(27)24-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyISDBCZFSQZEITQ-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

2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
4-N-benzyl-4-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085601
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
2-N-[(2-methylphenyl)methyl]-4-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085642
2-N-(2-chlorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085561
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-N-(2-fluorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085559
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109085391) is 2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide is Cc1ccccc1CNC(=O)c1ccnc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is ISDBCZFSQZEITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-7-5-6-10-19(16)15-25-21(26)18-11-12-23-20(13-18)22(27)24-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-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-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).