5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide

C23H24N4O2 — CID 58694432

IUPAC5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2cc(-c3c(C#N)c4ccc(OC)cc4n3CC)ccc21
InChIInChI=1S/C23H24N4O2/c1-4-25-23(28)27-11-10-15-12-16(6-9-20(15)27)22-19(14-24)18-8-7-17(29-3)13-21(18)26(22)5-2/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,28)
InChIKeySMYGUKCFZIMIPE-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.30
Rot. Bonds4

About 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide

5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide (PubChem CID 58694432) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide
PubChem CID58694432
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2cc(-c3c(C#N)c4ccc(OC)cc4n3CC)ccc21
InChIInChI=1S/C23H24N4O2/c1-4-25-23(28)27-11-10-15-12-16(6-9-20(15)27)22-19(14-24)18-8-7-17(29-3)13-21(18)26(22)5-2/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,28)
InChIKeySMYGUKCFZIMIPE-UHFFFAOYSA-N
XLogP4.30
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide (CID 58694432) is 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide is CCNC(=O)N1CCc2cc(-c3c(C#N)c4ccc(OC)cc4n3CC)ccc21.
What is the InChIKey of 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is SMYGUKCFZIMIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-25-23(28)27-11-10-15-12-16(6-9-20(15)27)22-19(14-24)18-8-7-17(29-3)13-21(18)26(22)5-2/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,28).
What are the key properties of 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide?
5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 58694432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).