N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane

C30H42N4O3 — CID 143185087

About N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane

N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane (PubChem CID 143185087) has the molecular formula C30H42N4O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane.

Molecular Properties

• Compound Name: N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane
• PubChem CID: 143185087
• Molecular Formula: C30H42N4O3
• Molecular Weight: 506.69 g/mol
• Exact Mass: 506.33
• IUPAC Name: N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane
• SMILES: CC.CCOC.CCn1c(-c2cccc(NC=O)c2)c(C#N)c2ccc(OCCCN3CCCC3)cc21
• InChI: InChI=1S/C25H28N4O2.C3H8O.C2H6/c1-2-29-24-16-21(31-14-6-13-28-11-3-4-12-28)9-10-22(24)23(17-26)25(29)19-7-5-8-20(15-19)27-18-30;1-3-4-2;1-2/h5,7-10,15-16,18H,2-4,6,11-14H2,1H3,(H,27,30);3H2,1-2H3;1-2H3
• InChIKey: UOHSRIMGZSHAKI-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 79.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.69
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane?

The IUPAC name of N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane (CID 143185087) is N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane.

What is the SMILES notation for N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane?

The canonical SMILES for N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane is CC.CCOC.CCn1c(-c2cccc(NC=O)c2)c(C#N)c2ccc(OCCCN3CCCC3)cc21.

What is the InChIKey of N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane?

The InChIKey is UOHSRIMGZSHAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.C3H8O.C2H6/c1-2-29-24-16-21(31-14-6-13-28-11-3-4-12-28)9-10-22(24)23(17-26)25(29)19-7-5-8-20(15-19)27-18-30;1-3-4-2;1-2/h5,7-10,15-16,18H,2-4,6,11-14H2,1H3,(H,27,30);3H2,1-2H3;1-2H3.

What are the key properties of N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane?

N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane has a molecular weight of 506.69 g/mol, XLogP of 6.31, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]formamide;ethane;methoxyethane is sourced from PubChem (CID 143185087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).