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

C22H26BrN3O2 — CID 67467622

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

6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide (PubChem CID 67467622) has the molecular formula C22H26BrN3O2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
• PubChem CID: 67467622
• Molecular Formula: C22H26BrN3O2
• Molecular Weight: 444.37 g/mol
• Exact Mass: 443.12
• IUPAC Name: 6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
• SMILES: Cc1cc(C(C)C)c(CNC(=O)c2cc(Br)cc3c2ccn3C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C22H26BrN3O2/c1-12(2)17-8-14(5)25-22(28)19(17)11-24-21(27)18-9-15(23)10-20-16(18)6-7-26(20)13(3)4/h6-10,12-13H,11H2,1-5H3,(H,24,27)(H,25,28)
• InChIKey: WJWGLOFNFJXTOH-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 66.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.37
LogP ≤ 5	5.03
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-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?

The IUPAC name of 6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide (CID 67467622) is 6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-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-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?

The canonical SMILES for 6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide is Cc1cc(C(C)C)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-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?

The InChIKey is WJWGLOFNFJXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O2/c1-12(2)17-8-14(5)25-22(28)19(17)11-24-21(27)18-9-15(23)10-20-16(18)6-7-26(20)13(3)4/h6-10,12-13H,11H2,1-5H3,(H,24,27)(H,25,28).

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

6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide has a molecular weight of 444.37 g/mol, XLogP of 5.03, 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-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 67467622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).