6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide

C17H18BrN3O2 — CID 109094351

IUPAC6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C17H18BrN3O2/c1-2-3-10-19-16(22)14-8-5-9-15(21-14)17(23)20-13-7-4-6-12(18)11-13/h4-9,11H,2-3,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyLDSFIXDJBXLDNV-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.63
Rot. Bonds6

About 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide

6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide (PubChem CID 109094351) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
PubChem CID109094351
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C17H18BrN3O2/c1-2-3-10-19-16(22)14-8-5-9-15(21-14)17(23)20-13-7-4-6-12(18)11-13/h4-9,11H,2-3,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyLDSFIXDJBXLDNV-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

2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
CID 109099598
6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094353
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
6-N-(3-acetamidophenyl)-2-N-propylpyridine-2,6-dicarboxamide
CID 109093563
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300
6-N-(3-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095785
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
CID 109094346
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide (CID 109094351) is 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2cccc(Br)c2)n1.
What is the InChIKey of 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide?
The InChIKey is LDSFIXDJBXLDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-2-3-10-19-16(22)14-8-5-9-15(21-14)17(23)20-13-7-4-6-12(18)11-13/h4-9,11H,2-3,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide?
6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-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 6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).