5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide

C32H37N5O6 — CID 129275005

About 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide

5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide (PubChem CID 129275005) has the molecular formula C32H37N5O6 and a molecular weight of 587.68 g/mol. Its IUPAC name is 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
• PubChem CID: 129275005
• Molecular Formula: C32H37N5O6
• Molecular Weight: 587.68 g/mol
• Exact Mass: 587.27
• IUPAC Name: 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
• SMILES: CNC(=O)n1ccc2cc(Oc3cccnc3NC(=O)c3ccc(C4CCN(CCO)CC4)cc3)c(OCCOC)cc21
• InChI: InChI=1S/C32H37N5O6/c1-33-32(40)37-15-11-25-20-29(28(21-26(25)37)42-19-18-41-2)43-27-4-3-12-34-30(27)35-31(39)24-7-5-22(6-8-24)23-9-13-36(14-10-23)16-17-38/h3-8,11-12,15,20-21,23,38H,9-10,13-14,16-19H2,1-2H3,(H,33,40)(H,34,35,39)
• InChIKey: YIDIGTPKARDGIH-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 127.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.68
LogP ≤ 5	4.47
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 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide?

The IUPAC name of 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide (CID 129275005) is 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide.

What is the SMILES notation for 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide?

The canonical SMILES for 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3cccnc3NC(=O)c3ccc(C4CCN(CCO)CC4)cc3)c(OCCOC)cc21.

What is the InChIKey of 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide?

The InChIKey is YIDIGTPKARDGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O6/c1-33-32(40)37-15-11-25-20-29(28(21-26(25)37)42-19-18-41-2)43-27-4-3-12-34-30(27)35-31(39)24-7-5-22(6-8-24)23-9-13-36(14-10-23)16-17-38/h3-8,11-12,15,20-21,23,38H,9-10,13-14,16-19H2,1-2H3,(H,33,40)(H,34,35,39).

What are the key properties of 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide?

5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide has a molecular weight of 587.68 g/mol, XLogP of 4.47, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-3-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide is sourced from PubChem (CID 129275005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).