N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide

C24H28F3N3O3 — CID 42578742

About N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide

N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide (PubChem CID 42578742) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
• PubChem CID: 42578742
• Molecular Formula: C24H28F3N3O3
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.21
• IUPAC Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
• SMILES: CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@@]2(NC(=O)C1CCCCC1)C(F)(F)F
• InChI: InChI=1S/C24H28F3N3O3/c1-22(2)11-17-19(18(31)12-22)23(24(25,26)27,29-20(32)16-8-4-3-5-9-16)21(33)30(17)14-15-7-6-10-28-13-15/h6-7,10,13,16H,3-5,8-9,11-12,14H2,1-2H3,(H,29,32)/t23-/m1/s1
• InChIKey: YBDZVMPHFQLBBU-HSZRJFAPSA-N
• XLogP: 4.06
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?

The IUPAC name of N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide (CID 42578742) is N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide.

What is the SMILES notation for N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?

The canonical SMILES for N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide is CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@@]2(NC(=O)C1CCCCC1)C(F)(F)F.

What is the InChIKey of N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?

The InChIKey is YBDZVMPHFQLBBU-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-22(2)11-17-19(18(31)12-22)23(24(25,26)27,29-20(32)16-8-4-3-5-9-16)21(33)30(17)14-15-7-6-10-28-13-15/h6-7,10,13,16H,3-5,8-9,11-12,14H2,1-2H3,(H,29,32)/t23-/m1/s1.

What are the key properties of N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?

N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide has a molecular weight of 463.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 42578742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).