3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

C17H18BrN3O2 — CID 109101490

IUPAC3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)NC(C)C)c2)c(Br)c1
InChIInChI=1S/C17H18BrN3O2/c1-10(2)20-16(22)12-7-13(9-19-8-12)17(23)21-15-5-4-11(3)6-14(15)18/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeyYZQPZBPDADSGEP-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.54
Rot. Bonds4

About 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 109101490) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID109101490
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)NC(C)C)c2)c(Br)c1
InChIInChI=1S/C17H18BrN3O2/c1-10(2)20-16(22)12-7-13(9-19-8-12)17(23)21-15-5-4-11(3)6-14(15)18/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeyYZQPZBPDADSGEP-UHFFFAOYSA-N
XLogP3.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-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

N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101453
5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 109241609
N-(2-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241092
3-N-(2,3-dimethylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101427
5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide
CID 109225275
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101457

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 109101490) is 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is Cc1ccc(NC(=O)c2cncc(C(=O)NC(C)C)c2)c(Br)c1.
What is the InChIKey of 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is YZQPZBPDADSGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-10(2)20-16(22)12-7-13(9-19-8-12)17(23)21-15-5-4-11(3)6-14(15)18/h4-10H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 376.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).