N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide

C20H18BrN3O — CID 109243423

IUPACN-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C20H18BrN3O/c1-2-14-6-3-4-9-19(14)23-18-10-15(12-22-13-18)20(25)24-17-8-5-7-16(21)11-17/h3-13,23H,2H2,1H3,(H,24,25)
InChIKeyITOAHPVJGIWWOG-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.40
Rot. Bonds5

About N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide

N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide (PubChem CID 109243423) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
PubChem CID109243423
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C20H18BrN3O/c1-2-14-6-3-4-9-19(14)23-18-10-15(12-22-13-18)20(25)24-17-8-5-7-16(21)11-17/h3-13,23H,2H2,1H3,(H,24,25)
InChIKeyITOAHPVJGIWWOG-UHFFFAOYSA-N
XLogP5.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide 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

5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243411
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782
N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239462
3-N-(3-chlorophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108469
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109243961
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242952

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide (CID 109243423) is N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide is CCc1ccccc1Nc1cncc(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The InChIKey is ITOAHPVJGIWWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-2-14-6-3-4-9-19(14)23-18-10-15(12-22-13-18)20(25)24-17-8-5-7-16(21)11-17/h3-13,23H,2H2,1H3,(H,24,25).
What are the key properties of N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109243423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).