1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C18H12BrN3O — CID 10522899

IUPAC1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(Br)c2)n1
InChIInChI=1S/C18H12BrN3O/c19-11-5-3-4-10(8-11)16-17-13(9-15(22-16)18(20)23)12-6-1-2-7-14(12)21-17/h1-9,21H,(H2,20,23)
InChIKeyTYFAAIZUQSSSQW-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.24
Rot. Bonds2

About 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 10522899) has the molecular formula C18H12BrN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID10522899
Molecular FormulaC18H12BrN3O
Molecular Weight366.22 g/mol
Exact Mass365.02
IUPAC Name1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(Br)c2)n1
InChIInChI=1S/C18H12BrN3O/c19-11-5-3-4-10(8-11)16-17-13(9-15(22-16)18(20)23)12-6-1-2-7-14(12)21-17/h1-9,21H,(H2,20,23)
InChIKeyTYFAAIZUQSSSQW-UHFFFAOYSA-N
XLogP4.24
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 10522899) is 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(Br)c2)n1.
What is the InChIKey of 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is TYFAAIZUQSSSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O/c19-11-5-3-4-10(8-11)16-17-13(9-15(22-16)18(20)23)12-6-1-2-7-14(12)21-17/h1-9,21H,(H2,20,23).
What are the key properties of 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 10522899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).