2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane

C20H20N4O4 — CID 159320213

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane
SMILESC.O=C1CCC(N2C(=O)c3cccc(NCc4cccnc4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H16N4O4.CH4/c24-15-7-6-14(17(25)22-15)23-18(26)12-4-1-5-13(16(12)19(23)27)21-10-11-3-2-8-20-9-11;/h1-5,8-9,14,21H,6-7,10H2,(H,22,24,25);1H4
InChIKeyLDQXWCCFZBEHFS-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.73
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane

2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane (PubChem CID 159320213) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane
PubChem CID159320213
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane
SMILESC.O=C1CCC(N2C(=O)c3cccc(NCc4cccnc4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H16N4O4.CH4/c24-15-7-6-14(17(25)22-15)23-18(26)12-4-1-5-13(16(12)19(23)27)21-10-11-3-2-8-20-9-11;/h1-5,8-9,14,21H,6-7,10H2,(H,22,24,25);1H4
InChIKeyLDQXWCCFZBEHFS-UHFFFAOYSA-N
XLogP1.73
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]benzamide
CID 175730464
4-[[4-(azonan-1-ylmethyl)phenyl]methylamino]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 174350229
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]isoindole-1,3-dione
CID 170002551
4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 139535673
4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155469915
4-(cyclooctylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170242906
2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155470178
4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 139535692
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155469688
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-N-(2-phenoxyethyl)benzamide
CID 178099817

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane (CID 159320213) is 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane is C.O=C1CCC(N2C(=O)c3cccc(NCc4cccnc4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane?
The InChIKey is LDQXWCCFZBEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4.CH4/c24-15-7-6-14(17(25)22-15)23-18(26)12-4-1-5-13(16(12)19(23)27)21-10-11-3-2-8-20-9-11;/h1-5,8-9,14,21H,6-7,10H2,(H,22,24,25);1H4.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane?
2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane has a molecular weight of 380.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane is sourced from PubChem (CID 159320213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).