5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C24H22F3N3O2 — CID 10623020

About 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10623020) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

• Compound Name: 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
• PubChem CID: 10623020
• Molecular Formula: C24H22F3N3O2
• Molecular Weight: 441.45 g/mol
• Exact Mass: 441.17
• IUPAC Name: 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
• SMILES: COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cnccc3C)c1)CC2
• InChI: InChI=1S/C24H22F3N3O2/c1-14-4-5-17(11-18(14)19-13-28-8-6-15(19)2)29-23(31)30-9-7-16-10-22(32-3)20(12-21(16)30)24(25,26)27/h4-6,8,10-13H,7,9H2,1-3H3,(H,29,31)
• InChIKey: CBYNVWMUBJNWTI-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.45
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?

The IUPAC name of 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10623020) is 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

What is the SMILES notation for 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?

The canonical SMILES for 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cnccc3C)c1)CC2.

What is the InChIKey of 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?

The InChIKey is CBYNVWMUBJNWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-14-4-5-17(11-18(14)19-13-28-8-6-15(19)2)29-23(31)30-9-7-16-10-22(32-3)20(12-21(16)30)24(25,26)27/h4-6,8,10-13H,7,9H2,1-3H3,(H,29,31).

What are the key properties of 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?

5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-N-[4-methyl-3-(4-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10623020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).