N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide

C18H14BrN3O — CID 89461171

IUPACN-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)c1ccc(Br)nc1
InChIInChI=1S/C18H14BrN3O/c19-17-11-10-13(12-20-17)18(23)22-16-9-5-4-8-15(16)21-14-6-2-1-3-7-14/h1-12,21H,(H,22,23)
InChIKeyNJSJJLSXJPUTHM-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.84
Rot. Bonds4

About N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide

N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide (PubChem CID 89461171) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
PubChem CID89461171
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC NameN-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)c1ccc(Br)nc1
InChIInChI=1S/C18H14BrN3O/c19-17-11-10-13(12-20-17)18(23)22-16-9-5-4-8-15(16)21-14-6-2-1-3-7-14/h1-12,21H,(H,22,23)
InChIKeyNJSJJLSXJPUTHM-UHFFFAOYSA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-anilinophenyl)-6-bromopyridine-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

6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 66462709
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 66464873
6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
6-anilino-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109162098
6-anilino-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109162076

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide?
The IUPAC name of N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide (CID 89461171) is N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide?
The canonical SMILES for N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide is O=C(Nc1ccccc1Nc1ccccc1)c1ccc(Br)nc1.
What is the InChIKey of N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide?
The InChIKey is NJSJJLSXJPUTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-17-11-10-13(12-20-17)18(23)22-16-9-5-4-8-15(16)21-14-6-2-1-3-7-14/h1-12,21H,(H,22,23).
What are the key properties of N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide?
N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide has a molecular weight of 368.23 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide is sourced from PubChem (CID 89461171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).