5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide

C21H27N3O2 — CID 109106930

IUPAC5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-6-14-9-8-10-15(7-2)18(14)23-19(25)16-11-17(13-22-12-16)20(26)24-21(3,4)5/h8-13H,6-7H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyPNAKSJDICXYSKU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.99
Rot. Bonds5

About 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide

5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109106930) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109106930
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-6-14-9-8-10-15(7-2)18(14)23-19(25)16-11-17(13-22-12-16)20(26)24-21(3,4)5/h8-13H,6-7H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyPNAKSJDICXYSKU-UHFFFAOYSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylamino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109239408
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106761
5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109106910
N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102577
5-N-cyclohexyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109103083
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332
3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431
5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106913
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106949

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide (CID 109106930) is 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1cncc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is PNAKSJDICXYSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-6-14-9-8-10-15(7-2)18(14)23-19(25)16-11-17(13-22-12-16)20(26)24-21(3,4)5/h8-13H,6-7H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide?
5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).