6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide

C28H33N3O2 — CID 69344197

About 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide

6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (PubChem CID 69344197) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
• PubChem CID: 69344197
• Molecular Formula: C28H33N3O2
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.26
• IUPAC Name: 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
• SMILES: CC(CNC1Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2C1)Cc1ccc(C(C)C)cc1
• InChI: InChI=1S/C28H33N3O2/c1-18(2)21-6-4-20(5-7-21)12-19(3)16-30-25-13-22-8-10-26(15-24(22)14-25)33-27-11-9-23(17-31-27)28(29)32/h4-11,15,17-19,25,30H,12-14,16H2,1-3H3,(H2,29,32)
• InChIKey: XBTJTNZSDJGWBF-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?

The IUPAC name of 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (CID 69344197) is 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?

The canonical SMILES for 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is CC(CNC1Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2C1)Cc1ccc(C(C)C)cc1.

What is the InChIKey of 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?

The InChIKey is XBTJTNZSDJGWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-18(2)21-6-4-20(5-7-21)12-19(3)16-30-25-13-22-8-10-26(15-24(22)14-25)33-27-11-9-23(17-31-27)28(29)32/h4-11,15,17-19,25,30H,12-14,16H2,1-3H3,(H2,29,32).

What are the key properties of 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?

6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 69344197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).