5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

C22H23N3O — CID 109233203

IUPAC5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O/c1-16-9-17(2)11-20(10-16)24-22(26)19-12-21(14-23-13-19)25(3)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyQDOIDAGGEMSZMC-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.59
Rot. Bonds5

About 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109233203) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109233203
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O/c1-16-9-17(2)11-20(10-16)24-22(26)19-12-21(14-23-13-19)25(3)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyQDOIDAGGEMSZMC-UHFFFAOYSA-N
XLogP4.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109233202
5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105456
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242288
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234
5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109233210
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
5-[benzyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109233239
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
5-[butyl(methyl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109240367

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (CID 109233203) is 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(N(C)Cc3ccccc3)c2)c1.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is QDOIDAGGEMSZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-9-17(2)11-20(10-16)24-22(26)19-12-21(14-23-13-19)25(3)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,24,26).
What are the key properties of 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109233203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).