5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide

C23H21BrN4O2 — CID 144552411

IUPAC5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCNC(=O)c1cc(Cc2cccc(NC(=O)N3CCc4cc(Br)ccc43)c2)ccn1
InChIInChI=1S/C23H21BrN4O2/c1-25-22(29)20-13-16(7-9-26-20)11-15-3-2-4-19(12-15)27-23(30)28-10-8-17-14-18(24)5-6-21(17)28/h2-7,9,12-14H,8,10-11H2,1H3,(H,25,29)(H,27,30)
InChIKeyDXQHSWUAVBHXSK-UHFFFAOYSA-N
MW465.35 g/mol
LogP4.39
Rot. Bonds4

About 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide

5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 144552411) has the molecular formula C23H21BrN4O2 and a molecular weight of 465.35 g/mol. Its IUPAC name is 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID144552411
Molecular FormulaC23H21BrN4O2
Molecular Weight465.35 g/mol
Exact Mass464.08
IUPAC Name5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCNC(=O)c1cc(Cc2cccc(NC(=O)N3CCc4cc(Br)ccc43)c2)ccn1
InChIInChI=1S/C23H21BrN4O2/c1-25-22(29)20-13-16(7-9-26-20)11-15-3-2-4-19(12-15)27-23(30)28-10-8-17-14-18(24)5-6-21(17)28/h2-7,9,12-14H,8,10-11H2,1H3,(H,25,29)(H,27,30)
InChIKeyDXQHSWUAVBHXSK-UHFFFAOYSA-N
XLogP4.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-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 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide (CID 144552411) is 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide is CNC(=O)c1cc(Cc2cccc(NC(=O)N3CCc4cc(Br)ccc43)c2)ccn1.
What is the InChIKey of 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is DXQHSWUAVBHXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O2/c1-25-22(29)20-13-16(7-9-26-20)11-15-3-2-4-19(12-15)27-23(30)28-10-8-17-14-18(24)5-6-21(17)28/h2-7,9,12-14H,8,10-11H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide?
5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 465.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]methyl]phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 144552411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).