2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide

C21H27N3O2 — CID 109094300

IUPAC2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C21H27N3O2/c1-5-6-14-22-19(25)17-12-9-13-18(23-17)20(26)24-16-11-8-7-10-15(16)21(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyAUGNTLFGWYTUSK-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.16
Rot. Bonds6

About 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide

2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109094300) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109094300
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C21H27N3O2/c1-5-6-14-22-19(25)17-12-9-13-18(23-17)20(26)24-16-11-8-7-10-15(16)21(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyAUGNTLFGWYTUSK-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094361
6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094353
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367
2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide
CID 109094379
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108957871
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
6-(2-tert-butylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846836
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094351
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide (CID 109094300) is 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is AUGNTLFGWYTUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-6-14-22-19(25)17-12-9-13-18(23-17)20(26)24-16-11-8-7-10-15(16)21(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,22,25)(H,24,26).
What are the key properties of 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide?
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).