5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide

C19H16BrN3O — CID 109242069

IUPAC5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccccc3Br)c2)cc1
InChIInChI=1S/C19H16BrN3O/c1-13-6-8-15(9-7-13)23-19(24)14-10-16(12-21-11-14)22-18-5-3-2-4-17(18)20/h2-12,22H,1H3,(H,23,24)
InChIKeyPCJDXCMIPGQWHU-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.15
Rot. Bonds4

About 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide

5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 109242069) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID109242069
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccccc3Br)c2)cc1
InChIInChI=1S/C19H16BrN3O/c1-13-6-8-15(9-7-13)23-19(24)14-10-16(12-21-11-14)22-18-5-3-2-4-17(18)20/h2-12,22H,1H3,(H,23,24)
InChIKeyPCJDXCMIPGQWHU-UHFFFAOYSA-N
XLogP5.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-bromoanilino)-N-(4-methylphenyl)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-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 109241609
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109246141

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide (CID 109242069) is 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3ccccc3Br)c2)cc1.
What is the InChIKey of 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is PCJDXCMIPGQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13-6-8-15(9-7-13)23-19(24)14-10-16(12-21-11-14)22-18-5-3-2-4-17(18)20/h2-12,22H,1H3,(H,23,24).
What are the key properties of 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).