5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide

C22H23N3O2 — CID 109233234

IUPAC5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(N(C)Cc3ccccc3)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-27-21-11-9-19(10-12-21)24-22(26)18-13-20(15-23-14-18)25(2)16-17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyLLLQXOTYOYBCIJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.37
Rot. Bonds7

About 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide

5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109233234) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109233234
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(N(C)Cc3ccccc3)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-27-21-11-9-19(10-12-21)24-22(26)18-13-20(15-23-14-18)25(2)16-17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyLLLQXOTYOYBCIJ-UHFFFAOYSA-N
XLogP4.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109239762
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109233202
5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109233203
5-[benzyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109233239
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109258493
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109233210
5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109239760
3-N-(4-ethoxyphenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108480
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
N-(4-methoxyphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242318

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide (CID 109233234) is 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cncc(N(C)Cc3ccccc3)c2)cc1.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is LLLQXOTYOYBCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-27-21-11-9-19(10-12-21)24-22(26)18-13-20(15-23-14-18)25(2)16-17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3,(H,24,26).
What are the key properties of 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109233234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).