5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide

C21H21N3O2 — CID 109243186

IUPAC5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-15(2)20(14)23-18-11-16(12-22-13-18)21(25)24-17-7-9-19(26-3)10-8-17/h4-13,23H,1-3H3,(H,24,25)
InChIKeySQJWRGICMWBHNJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

About 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide

5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109243186) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109243186
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-15(2)20(14)23-18-11-16(12-22-13-18)21(25)24-17-7-9-19(26-3)10-8-17/h4-13,23H,1-3H3,(H,24,25)
InChIKeySQJWRGICMWBHNJ-UHFFFAOYSA-N
XLogP4.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243191
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188
5-(2,6-diethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243967
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109243240
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243138
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108917
3-N-(4-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108631

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 109243186) is 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)cc1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is SQJWRGICMWBHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-5-4-6-15(2)20(14)23-18-11-16(12-22-13-18)21(25)24-17-7-9-19(26-3)10-8-17/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).