N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide

C16H14BrN3O — CID 43520459

IUPACN-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3cccc(Br)n3)cc2c1C
InChIInChI=1S/C16H14BrN3O/c1-9-10(2)18-13-7-6-11(8-12(9)13)16(21)20-15-5-3-4-14(17)19-15/h3-8,18H,1-2H3,(H,19,20,21)
InChIKeyZJVJVRULFROELJ-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.19
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 43520459) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID43520459
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3cccc(Br)n3)cc2c1C
InChIInChI=1S/C16H14BrN3O/c1-9-10(2)18-13-7-6-11(8-12(9)13)16(21)20-15-5-3-4-14(17)19-15/h3-8,18H,1-2H3,(H,19,20,21)
InChIKeyZJVJVRULFROELJ-UHFFFAOYSA-N
XLogP4.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-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-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320
2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide
CID 46434037
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474771
N-[3-(butanoylamino)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 87040999
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 43520459) is N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3cccc(Br)n3)cc2c1C.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is ZJVJVRULFROELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-9-10(2)18-13-7-6-11(8-12(9)13)16(21)20-15-5-3-4-14(17)19-15/h3-8,18H,1-2H3,(H,19,20,21).
What are the key properties of N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 43520459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).