4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C21H21N5O4 — CID 167724858

IUPAC4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC(CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccccn1
InChIInChI=1S/C21H21N5O4/c22-14(15-6-1-2-9-24-15)11-23-10-12-4-3-5-13-18(12)21(30)26(20(13)29)16-7-8-17(27)25-19(16)28/h1-6,9,14,16,23H,7-8,10-11,22H2,(H,25,27,28)
InChIKeyVPPJNWZJDFNBET-UHFFFAOYSA-N
MW407.43 g/mol
LogP0.27
Rot. Bonds6

About 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167724858) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167724858
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC(CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccccn1
InChIInChI=1S/C21H21N5O4/c22-14(15-6-1-2-9-24-15)11-23-10-12-4-3-5-13-18(12)21(30)26(20(13)29)16-7-8-17(27)25-19(16)28/h1-6,9,14,16,23H,7-8,10-11,22H2,(H,25,27,28)
InChIKeyVPPJNWZJDFNBET-UHFFFAOYSA-N
XLogP0.27
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2-amino-3,3,3-trifluoropropyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741997
4-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741802
4-[[[(Z)-4-aminobut-2-enyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724884
4-[(4-aminoheptylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716843
4-[[[(2S)-1-amino-3-hydroxypropan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742462
2-(2,6-dioxopiperidin-3-yl)-4-[[[(2R)-pyrrolidin-2-yl]methylamino]methyl]isoindole-1,3-dione
CID 167725576
4-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734587
4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741043
4-[[4-[(1S)-1-aminoethyl]anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742268
4-[[(3-amino-2,2-dimethylcyclobutyl)methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167732341
4-[[3-(2-aminoethoxy)propylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735926
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167724858) is 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC(CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccccn1.
What is the InChIKey of 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is VPPJNWZJDFNBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c22-14(15-6-1-2-9-24-15)11-23-10-12-4-3-5-13-18(12)21(30)26(20(13)29)16-7-8-17(27)25-19(16)28/h1-6,9,14,16,23H,7-8,10-11,22H2,(H,25,27,28).
What are the key properties of 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 407.43 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-2-pyridin-2-ylethyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167724858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).