6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

C35H43N5O6 — CID 90349063

About 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (PubChem CID 90349063) has the molecular formula C35H43N5O6 and a molecular weight of 629.76 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.

Molecular Properties

• Compound Name: 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
• PubChem CID: 90349063
• Molecular Formula: C35H43N5O6
• Molecular Weight: 629.76 g/mol
• Exact Mass: 629.32
• IUPAC Name: 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
• SMILES: CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CC(C)(C)O)CC3)cc2)c1
• InChI: InChI=1S/C35H43N5O6/c1-5-44-18-19-45-30-22-29-27(13-17-40(29)34(42)36-4)20-31(30)46-28-10-14-37-32(21-28)38-33(41)26-8-6-24(7-9-26)25-11-15-39(16-12-25)23-35(2,3)43/h6-10,13-14,17,20-22,25,43H,5,11-12,15-16,18-19,23H2,1-4H3,(H,36,42)(H,37,38,41)
• InChIKey: SNCPEMWHLQVKGE-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 127.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.76
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?

The IUPAC name of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (CID 90349063) is 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.

What is the SMILES notation for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?

The canonical SMILES for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CC(C)(C)O)CC3)cc2)c1.

What is the InChIKey of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?

The InChIKey is SNCPEMWHLQVKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O6/c1-5-44-18-19-45-30-22-29-27(13-17-40(29)34(42)36-4)20-31(30)46-28-10-14-37-32(21-28)38-33(41)26-8-6-24(7-9-26)25-11-15-39(16-12-25)23-35(2,3)43/h6-10,13-14,17,20-22,25,43H,5,11-12,15-16,18-19,23H2,1-4H3,(H,36,42)(H,37,38,41).

What are the key properties of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?

6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide has a molecular weight of 629.76 g/mol, XLogP of 5.63, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is sourced from PubChem (CID 90349063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).