4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide

C25H22N4O2 — CID 86963920

About 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide

4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide (PubChem CID 86963920) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 86963920
• Molecular Formula: C25H22N4O2
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.17
• IUPAC Name: 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide
• SMILES: Cc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)CCN4C(=O)c3cccnc3)cc2c1C
• InChI: InChI=1S/C25H22N4O2/c1-15-5-7-21-20(16(15)2)13-22(28-21)24(30)27-19-6-8-23-17(12-19)9-11-29(23)25(31)18-4-3-10-26-14-18/h3-8,10,12-14,28H,9,11H2,1-2H3,(H,27,30)
• InChIKey: WXUWPQSLQXGIGD-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide (CID 86963920) is 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)CCN4C(=O)c3cccnc3)cc2c1C.

What is the InChIKey of 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide?

The InChIKey is WXUWPQSLQXGIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-15-5-7-21-20(16(15)2)13-22(28-21)24(30)27-19-6-8-23-17(12-19)9-11-29(23)25(31)18-4-3-10-26-14-18/h3-8,10,12-14,28H,9,11H2,1-2H3,(H,27,30).

What are the key properties of 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide?

4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86963920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).