6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide

C23H26N4O3 — CID 90621313

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C23H26N4O3/c28-21(25-17-12-15-26(16-17)20-10-5-6-13-24-20)11-2-1-7-14-27-22(29)18-8-3-4-9-19(18)23(27)30/h3-6,8-10,13,17H,1-2,7,11-12,14-16H2,(H,25,28)
InChIKeyMKZWUJQKOADOKR-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.63
Rot. Bonds8

About 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide (PubChem CID 90621313) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide
PubChem CID90621313
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C23H26N4O3/c28-21(25-17-12-15-26(16-17)20-10-5-6-13-24-20)11-2-1-7-14-27-22(29)18-8-3-4-9-19(18)23(27)30/h3-6,8-10,13,17H,1-2,7,11-12,14-16H2,(H,25,28)
InChIKeyMKZWUJQKOADOKR-UHFFFAOYSA-N
XLogP2.63
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide 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

4-(1,3-dioxoisoindol-2-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]butanamide
CID 121142788
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 97241202
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-2-ylpiperidin-3-yl)acetamide
CID 127247784
3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621291
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
CID 110026123
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide
CID 125013076

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide (CID 90621313) is 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide?
The InChIKey is MKZWUJQKOADOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21(25-17-12-15-26(16-17)20-10-5-6-13-24-20)11-2-1-7-14-27-22(29)18-8-3-4-9-19(18)23(27)30/h3-6,8-10,13,17H,1-2,7,11-12,14-16H2,(H,25,28).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide has a molecular weight of 406.49 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide is sourced from PubChem (CID 90621313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).