2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide

C22H21N3O2 — CID 109085444

IUPAC2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C22H21N3O2/c1-15-10-16(2)12-19(11-15)25-21(26)18-8-9-23-20(13-18)22(27)24-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyBJLFOISLQKXBPT-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.88
Rot. Bonds5

About 2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide

2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109085444) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109085444
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C22H21N3O2/c1-15-10-16(2)12-19(11-15)25-21(26)18-8-9-23-20(13-18)22(27)24-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyBJLFOISLQKXBPT-UHFFFAOYSA-N
XLogP3.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085201
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
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

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide (CID 109085444) is 2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of 2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is BJLFOISLQKXBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-10-16(2)12-19(11-15)25-21(26)18-8-9-23-20(13-18)22(27)24-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.88, 5 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-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).