N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide

C25H26N4O4 — CID 177188179

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)[nH]c2ccccc12
InChIInChI=1S/C25H26N4O4/c1-2-5-18-17-6-3-4-7-19(17)27-22(18)24(32)26-15-8-9-16-14(12-15)13-29(25(16)33)20-10-11-21(30)28-23(20)31/h3-4,6-9,12,20,25,27,33H,2,5,10-11,13H2,1H3,(H,26,32)(H,28,30,31)
InChIKeyGYMQYSOPFWOELR-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide (PubChem CID 177188179) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide
PubChem CID177188179
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)[nH]c2ccccc12
InChIInChI=1S/C25H26N4O4/c1-2-5-18-17-6-3-4-7-19(17)27-22(18)24(32)26-15-8-9-16-14(12-15)13-29(25(16)33)20-10-11-21(30)28-23(20)31/h3-4,6-9,12,20,25,27,33H,2,5,10-11,13H2,1H3,(H,26,32)(H,28,30,31)
InChIKeyGYMQYSOPFWOELR-UHFFFAOYSA-N
XLogP2.98
TPSA114.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.98
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'}

Analyze N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-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

Related Compounds

5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
CID 177188021
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
6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
CID 177188070
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170564498
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea
CID 143987096
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-[4-[[4-(2-hydroxypropan-2-yl)phenyl]methoxy]phenyl]urea
CID 176989738
3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174315913
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide
CID 177187872
N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 177144099
3-[1-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167239354
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide (CID 177188179) is N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide is CCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide?
The InChIKey is GYMQYSOPFWOELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-2-5-18-17-6-3-4-7-19(17)27-22(18)24(32)26-15-8-9-16-14(12-15)13-29(25(16)33)20-10-11-21(30)28-23(20)31/h3-4,6-9,12,20,25,27,33H,2,5,10-11,13H2,1H3,(H,26,32)(H,28,30,31).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177188179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).