N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide

C20H18BrN3O — CID 109210139

IUPACN-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccccc1CNc1ccnc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C20H18BrN3O/c1-14-6-2-3-7-15(14)13-23-16-10-11-22-19(12-16)20(25)24-18-9-5-4-8-17(18)21/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyDEBYQTZHRYBQDU-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.02
Rot. Bonds5

About N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide

N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109210139) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109210139
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccccc1CNc1ccnc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C20H18BrN3O/c1-14-6-2-3-7-15(14)13-23-16-10-11-22-19(12-16)20(25)24-18-9-5-4-8-17(18)21/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyDEBYQTZHRYBQDU-UHFFFAOYSA-N
XLogP5.02
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 ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-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

N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210613
N-(2-ethoxyphenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210117
methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210134
4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 61401901
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211300
4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 109209889
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919
N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213435
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
N-(2-bromophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202038

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109210139) is N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1ccccc1CNc1ccnc(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is DEBYQTZHRYBQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-6-2-3-7-15(14)13-23-16-10-11-22-19(12-16)20(25)24-18-9-5-4-8-17(18)21/h2-12H,13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109210139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).