N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide

C22H20N4O3 — CID 167347020

IUPACN-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCn1cc(C#N)c2cc(Oc3ccc(NC(=O)C4CCC(=O)N4)cc3)ccc21
InChIInChI=1S/C22H20N4O3/c1-2-26-13-14(12-23)18-11-17(7-9-20(18)26)29-16-5-3-15(4-6-16)24-22(28)19-8-10-21(27)25-19/h3-7,9,11,13,19H,2,8,10H2,1H3,(H,24,28)(H,25,27)
InChIKeyBKHQDWNIHVWFJE-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.54
Rot. Bonds5

About N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide

N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 167347020) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID167347020
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCn1cc(C#N)c2cc(Oc3ccc(NC(=O)C4CCC(=O)N4)cc3)ccc21
InChIInChI=1S/C22H20N4O3/c1-2-26-13-14(12-23)18-11-17(7-9-20(18)26)29-16-5-3-15(4-6-16)24-22(28)19-8-10-21(27)25-19/h3-7,9,11,13,19H,2,8,10H2,1H3,(H,24,28)(H,25,27)
InChIKeyBKHQDWNIHVWFJE-UHFFFAOYSA-N
XLogP3.54
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide (CID 167347020) is N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide is CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)C4CCC(=O)N4)cc3)ccc21.
What is the InChIKey of N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BKHQDWNIHVWFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-26-13-14(12-23)18-11-17(7-9-20(18)26)29-16-5-3-15(4-6-16)24-22(28)19-8-10-21(27)25-19/h3-7,9,11,13,19H,2,8,10H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide?
N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 167347020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).