5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide

C25H32N4O2 — CID 110503977

About 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide

5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide (PubChem CID 110503977) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide
• PubChem CID: 110503977
• Molecular Formula: C25H32N4O2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.25
• IUPAC Name: 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide
• SMILES: CCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(N3CCC(C)CC3)nc1)n2CC
• InChI: InChI=1S/C25H32N4O2/c1-5-29-22-9-8-20(31-6-2)15-21(22)18(4)24(29)25(30)27-19-7-10-23(26-16-19)28-13-11-17(3)12-14-28/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,27,30)
• InChIKey: CEDMZNAYEQPZCO-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide?

The IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide (CID 110503977) is 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide.

What is the SMILES notation for 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide?

The canonical SMILES for 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(N3CCC(C)CC3)nc1)n2CC.

What is the InChIKey of 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide?

The InChIKey is CEDMZNAYEQPZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-29-22-9-8-20(31-6-2)15-21(22)18(4)24(29)25(30)27-19-7-10-23(26-16-19)28-13-11-17(3)12-14-28/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,27,30).

What are the key properties of 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide?

5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide is sourced from PubChem (CID 110503977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).