3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

C25H28N4O3 — CID 58694163

IUPAC3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCn1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H28N4O3/c1-3-29-23-16-20(31-2)7-8-21(23)22(17-26)24(29)18-5-4-6-19(15-18)25(30)27-9-10-28-11-13-32-14-12-28/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30)
InChIKeyABQIDNGGUCZFSL-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.27
Rot. Bonds7

About 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 58694163) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID58694163
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCn1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H28N4O3/c1-3-29-23-16-20(31-2)7-8-21(23)22(17-26)24(29)18-5-4-6-19(15-18)25(30)27-9-10-28-11-13-32-14-12-28/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30)
InChIKeyABQIDNGGUCZFSL-UHFFFAOYSA-N
XLogP3.27
TPSA79.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 58694163) is 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide is CCn1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is ABQIDNGGUCZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-29-23-16-20(31-2)7-8-21(23)22(17-26)24(29)18-5-4-6-19(15-18)25(30)27-9-10-28-11-13-32-14-12-28/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30).
What are the key properties of 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 58694163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).