6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide

C18H20BrN3O2 — CID 109094353

IUPAC6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C18H20BrN3O2/c1-3-4-10-20-17(23)15-6-5-7-16(21-15)18(24)22-14-9-8-13(19)11-12(14)2/h5-9,11H,3-4,10H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyDKZAWTWHDLBSCH-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.93
Rot. Bonds6

About 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide

6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide (PubChem CID 109094353) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
PubChem CID109094353
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C18H20BrN3O2/c1-3-4-10-20-17(23)15-6-5-7-16(21-15)18(24)22-14-9-8-13(19)11-12(14)2/h5-9,11H,3-4,10H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyDKZAWTWHDLBSCH-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094351
2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093970
5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
CID 109180783
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300
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'-(4-bromo-2-methylphenyl)-N-hexyloxamide
CID 47148018
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099370
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide (CID 109094353) is 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2C)n1.
What is the InChIKey of 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide?
The InChIKey is DKZAWTWHDLBSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-3-4-10-20-17(23)15-6-5-7-16(21-15)18(24)22-14-9-8-13(19)11-12(14)2/h5-9,11H,3-4,10H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide?
6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide has a molecular weight of 390.28 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).