2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide

C21H27N3O2 — CID 109079477

IUPAC2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1
InChIInChI=1S/C21H27N3O2/c1-5-6-12-23-20(26)18-14-15(11-13-22-18)19(25)24-17-9-7-16(8-10-17)21(2,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyQUWJDRCUDDDOQA-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.16
Rot. Bonds6

About 2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide

2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109079477) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109079477
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1
InChIInChI=1S/C21H27N3O2/c1-5-6-12-23-20(26)18-14-15(11-13-22-18)19(25)24-17-9-7-16(8-10-17)21(2,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyQUWJDRCUDDDOQA-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

4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089968
4-N-(4-tert-butylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087648
2-N-[3-(dimethylamino)propyl]-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109084104
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077938
4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077915
2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109079525
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109089898

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide (CID 109079477) is 2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1.
What is the InChIKey of 2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is QUWJDRCUDDDOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-6-12-23-20(26)18-14-15(11-13-22-18)19(25)24-17-9-7-16(8-10-17)21(2,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide?
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-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-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).