N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

C19H16BrN3O2 — CID 15951863

IUPACN-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Br)c4)cc3c21
InChIInChI=1S/C19H16BrN3O2/c1-10-9-21-19(25)17-16(10)14-7-11(5-6-15(14)23-17)18(24)22-13-4-2-3-12(20)8-13/h2-8,10,23H,9H2,1H3,(H,21,25)(H,22,24)
InChIKeyZPGNQCXYWXRURT-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.03
Rot. Bonds2

About N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15951863) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15951863
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Br)c4)cc3c21
InChIInChI=1S/C19H16BrN3O2/c1-10-9-21-19(25)17-16(10)14-7-11(5-6-15(14)23-17)18(24)22-13-4-2-3-12(20)8-13/h2-8,10,23H,9H2,1H3,(H,21,25)(H,22,24)
InChIKeyZPGNQCXYWXRURT-UHFFFAOYSA-N
XLogP4.03
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-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

CID 443375
CID 443375
CID 99652
CID 99652
CID 146395245
CID 146395245
CID 59751
CID 59751
CID 821483
CID 821483
CID 921599
CID 921599
CID 8023988
CID 8023988
CID 4060730
CID 4060730
CID 10810596
CID 10810596
CID 444980
CID 444980
CID 5329376
CID 5329376
CID 5329377
CID 5329377

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15951863) is N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Br)c4)cc3c21.
What is the InChIKey of N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is ZPGNQCXYWXRURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-10-9-21-19(25)17-16(10)14-7-11(5-6-15(14)23-17)18(24)22-13-4-2-3-12(20)8-13/h2-8,10,23H,9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15951863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).