5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide

C26H25N5O5 — CID 177188021

IUPAC5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)[nH]c2ccc(NC(C)=O)cc12
InChIInChI=1S/C26H25N5O5/c1-3-17-19-11-16(27-13(2)32)5-7-20(19)29-23(17)25(35)28-15-4-6-18-14(10-15)12-31(26(18)36)21-8-9-22(33)30-24(21)34/h4-7,10-11,21,29H,3,8-9,12H2,1-2H3,(H,27,32)(H,28,35)(H,30,33,34)
InChIKeyVZECCEMWIMEPAU-UHFFFAOYSA-N
MW487.52 g/mol
LogP2.70
Rot. Bonds5

About 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide

5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide (PubChem CID 177188021) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
PubChem CID177188021
Molecular FormulaC26H25N5O5
Molecular Weight487.52 g/mol
Exact Mass487.19
IUPAC Name5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)[nH]c2ccc(NC(C)=O)cc12
InChIInChI=1S/C26H25N5O5/c1-3-17-19-11-16(27-13(2)32)5-7-20(19)29-23(17)25(35)28-15-4-6-18-14(10-15)12-31(26(18)36)21-8-9-22(33)30-24(21)34/h4-7,10-11,21,29H,3,8-9,12H2,1-2H3,(H,27,32)(H,28,35)(H,30,33,34)
InChIKeyVZECCEMWIMEPAU-UHFFFAOYSA-N
XLogP2.70
TPSA140.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
CID 177188070
4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 177188105
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methoxy-1H-indole-2-carboxamide
CID 177188138
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1H-indole-2-carboxamide
CID 177187982
3-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4,5-dimethyl-1H-pyrrole-2-carboxamide
CID 177188047
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 177188184
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide
CID 177187872
4-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 177188039
3-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-pyrrole-2-carboxamide
CID 177187855
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
3-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 177188016

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide (CID 177188021) is 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide is CCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)[nH]c2ccc(NC(C)=O)cc12.
What is the InChIKey of 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide?
The InChIKey is VZECCEMWIMEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5/c1-3-17-19-11-16(27-13(2)32)5-7-20(19)29-23(17)25(35)28-15-4-6-18-14(10-15)12-31(26(18)36)21-8-9-22(33)30-24(21)34/h4-7,10-11,21,29H,3,8-9,12H2,1-2H3,(H,27,32)(H,28,35)(H,30,33,34).
What are the key properties of 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide?
5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 2.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177188021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).