2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

C17H18BrN3O2 — CID 109079716

IUPAC2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccnc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrN3O2/c1-11(2)10-20-16(22)12-6-7-19-15(8-12)17(23)21-14-5-3-4-13(18)9-14/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHCCCKZAGKVEIBV-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.48
Rot. Bonds5

About 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079716) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109079716
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccnc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrN3O2/c1-11(2)10-20-16(22)12-6-7-19-15(8-12)17(23)21-14-5-3-4-13(18)9-14/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHCCCKZAGKVEIBV-UHFFFAOYSA-N
XLogP3.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-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

2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079698
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614
4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079869
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
CID 131898619
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 131931699
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079916

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (CID 109079716) is 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is CC(C)CNC(=O)c1ccnc(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is HCCCKZAGKVEIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-11(2)10-20-16(22)12-6-7-19-15(8-12)17(23)21-14-5-3-4-13(18)9-14/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 376.25 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).