4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide

C20H25N3O2 — CID 109079284

IUPAC4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H25N3O2/c1-5-6-8-22-19(24)16-7-9-21-17(12-16)20(25)23-18-14(3)10-13(2)11-15(18)4/h7,9-12H,5-6,8H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJQOZGHDQLILCMQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.79
Rot. Bonds6

About 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide

4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109079284) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109079284
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H25N3O2/c1-5-6-8-22-19(24)16-7-9-21-17(12-16)20(25)23-18-14(3)10-13(2)11-15(18)4/h7,9-12H,5-6,8H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJQOZGHDQLILCMQ-UHFFFAOYSA-N
XLogP3.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.79
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

4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079488
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
4-N-[(4-methylphenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085890
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089838
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide (CID 109079284) is 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is JQOZGHDQLILCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-6-8-22-19(24)16-7-9-21-17(12-16)20(25)23-18-14(3)10-13(2)11-15(18)4/h7,9-12H,5-6,8H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide?
4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).