N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

C20H19N5O5 — CID 58827322

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1C
InChIInChI=1S/C20H19N5O5/c1-10-8-13(23-24(10)2)17(27)21-9-11-4-3-5-12-16(11)20(30)25(19(12)29)14-6-7-15(26)22-18(14)28/h3-5,8,14H,6-7,9H2,1-2H3,(H,21,27)(H,22,26,28)
InChIKeyRCNWEMHLISFGMG-UHFFFAOYSA-N
MW409.40 g/mol
LogP0.06
Rot. Bonds4

About N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 58827322) has the molecular formula C20H19N5O5 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID58827322
Molecular FormulaC20H19N5O5
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1C
InChIInChI=1S/C20H19N5O5/c1-10-8-13(23-24(10)2)17(27)21-9-11-4-3-5-12-16(11)20(30)25(19(12)29)14-6-7-15(26)22-18(14)28/h3-5,8,14H,6-7,9H2,1-2H3,(H,21,27)(H,22,26,28)
InChIKeyRCNWEMHLISFGMG-UHFFFAOYSA-N
XLogP0.06
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-fluoro-4-methylbenzamide
CID 58827351
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-naphthalen-1-ylacetamide
CID 58307176
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-4-(hydroxymethyl)benzamide
CID 71213468
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-4-hydrazinylbenzamide
CID 169042129
3-(aminomethyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-hydroxybenzamide
CID 169049479
2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]acetamide
CID 58827269
4-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739086
[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2-oxoethyl] acetate
CID 10134793
1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-3-[3-(hydroxymethyl)phenyl]urea
CID 58827288
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-phenyl-1,3,2-benzodioxaborole-5-carboxamide
CID 170652362
2-(2,6-dioxopiperidin-3-yl)-4-[[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methylamino]methyl]isoindole-1,3-dione
CID 167723892

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 58827322) is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1C.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is RCNWEMHLISFGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O5/c1-10-8-13(23-24(10)2)17(27)21-9-11-4-3-5-12-16(11)20(30)25(19(12)29)14-6-7-15(26)22-18(14)28/h3-5,8,14H,6-7,9H2,1-2H3,(H,21,27)(H,22,26,28).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 58827322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).