5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide

C17H18BrN3O2 — CID 109102031

IUPAC5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrN3O2/c1-2-3-8-20-16(22)12-9-13(11-19-10-12)17(23)21-15-6-4-14(18)5-7-15/h4-7,9-11H,2-3,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyFRGHLFXIUBEHLU-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.63
Rot. Bonds6

About 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide

5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide (PubChem CID 109102031) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide
PubChem CID109102031
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrN3O2/c1-2-3-8-20-16(22)12-9-13(11-19-10-12)17(23)21-15-6-4-14(18)5-7-15/h4-7,9-11H,2-3,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyFRGHLFXIUBEHLU-UHFFFAOYSA-N
XLogP3.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.63
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-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049
5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101242
methyl 3-[[5-(butylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102052
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide (CID 109102031) is 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide?
The InChIKey is FRGHLFXIUBEHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-2-3-8-20-16(22)12-9-13(11-19-10-12)17(23)21-15-6-4-14(18)5-7-15/h4-7,9-11H,2-3,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide?
5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide has a molecular weight of 376.25 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).