6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide

C25H24BrN3O2 — CID 54670264

About 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide

6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide (PubChem CID 54670264) has the molecular formula C25H24BrN3O2 and a molecular weight of 478.39 g/mol. Its IUPAC name is 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
• PubChem CID: 54670264
• Molecular Formula: C25H24BrN3O2
• Molecular Weight: 478.39 g/mol
• Exact Mass: 477.11
• IUPAC Name: 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
• SMILES: Cc1cc(-c2ccccc2)c(CNC(=O)c2cc(Br)cc3c2ccn3C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C25H24BrN3O2/c1-15(2)29-10-9-19-21(12-18(26)13-23(19)29)24(30)27-14-22-20(11-16(3)28-25(22)31)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,27,30)(H,28,31)
• InChIKey: RUPMZEFAGGCSJU-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 66.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.39
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?

The IUPAC name of 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide (CID 54670264) is 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide.

What is the SMILES notation for 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?

The canonical SMILES for 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide is Cc1cc(-c2ccccc2)c(CNC(=O)c2cc(Br)cc3c2ccn3C(C)C)c(=O)[nH]1.

What is the InChIKey of 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?

The InChIKey is RUPMZEFAGGCSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O2/c1-15(2)29-10-9-19-21(12-18(26)13-23(19)29)24(30)27-14-22-20(11-16(3)28-25(22)31)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,27,30)(H,28,31).

What are the key properties of 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?

6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide has a molecular weight of 478.39 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 54670264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).