5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide

C23H23N3O2 — CID 109105456

IUPAC5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C23H23N3O2/c1-16-9-17(2)11-21(10-16)25-22(27)19-12-20(14-24-13-19)23(28)26(3)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyWTQSIULCJLVINN-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.22
Rot. Bonds5

About 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide

5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide (PubChem CID 109105456) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
PubChem CID109105456
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C23H23N3O2/c1-16-9-17(2)11-21(10-16)25-22(27)19-12-20(14-24-13-19)23(28)26(3)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyWTQSIULCJLVINN-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109233203
4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105473
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242288
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106204
5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109104838
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233085
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide (CID 109105456) is 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide is Cc1cc(C)cc(NC(=O)c2cncc(C(=O)N(C)Cc3ccccc3)c2)c1.
What is the InChIKey of 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide?
The InChIKey is WTQSIULCJLVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-9-17(2)11-21(10-16)25-22(27)19-12-20(14-24-13-19)23(28)26(3)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide?
5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).