6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide

C19H23N3O4 — CID 109099186

IUPAC6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)n2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-19(2,3)22-18(24)14-8-6-7-13(21-14)17(23)20-12-9-10-15(25-4)16(11-12)26-5/h6-11H,1-5H3,(H,20,23)(H,22,24)
InChIKeyWTGSCBJSDVJPOI-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.88
Rot. Bonds5

About 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide

6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109099186) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide
PubChem CID109099186
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)n2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-19(2,3)22-18(24)14-8-6-7-13(21-14)17(23)20-12-9-10-15(25-4)16(11-12)26-5/h6-11H,1-5H3,(H,20,23)(H,22,24)
InChIKeyWTGSCBJSDVJPOI-UHFFFAOYSA-N
XLogP2.88
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099195
4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109089181
6-N-(3,4-dimethoxyphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094513
6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124776
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305
N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096866
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 103889781
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
6-N-tert-butyl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099182
2-N-(3,4-dimethylphenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100442

Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide (CID 109099186) is 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)n2)cc1OC.
What is the InChIKey of 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is WTGSCBJSDVJPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2,3)22-18(24)14-8-6-7-13(21-14)17(23)20-12-9-10-15(25-4)16(11-12)26-5/h6-11H,1-5H3,(H,20,23)(H,22,24).
What are the key properties of 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide?
6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).