2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione

C21H22N6O2 — CID 126832825

IUPAC2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione
SMILESCN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ccc2nccnc2n1
InChIInChI=1S/C21H22N6O2/c1-25(12-14-27-20(28)15-5-3-4-6-16(15)21(27)29)11-13-26(2)18-8-7-17-19(24-18)23-10-9-22-17/h3-10H,11-14H2,1-2H3
InChIKeyMFWXKDMZLIETNX-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.69
Rot. Bonds7

About 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione

2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione (PubChem CID 126832825) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione
PubChem CID126832825
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione
SMILESCN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ccc2nccnc2n1
InChIInChI=1S/C21H22N6O2/c1-25(12-14-27-20(28)15-5-3-4-6-16(15)21(27)29)11-13-26(2)18-8-7-17-19(24-18)23-10-9-22-17/h3-10H,11-14H2,1-2H3
InChIKeyMFWXKDMZLIETNX-UHFFFAOYSA-N
XLogP1.69
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 69293402
2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione
CID 18087450
11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-methylamino]propyl-methylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
CID 10416845
2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione
CID 133405428
2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]propyl-methylamino]ethyl]benzo[de]isoquinoline-1,3-dione;ethane
CID 143501202
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]isoindole-1,3-dione
CID 8787066
2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione
CID 175771620
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-propylamino]propyl-methylamino]ethyl]benzo[de]isoquinoline-1,3-dione
CID 143238287
2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-propylamino]propyl-methylamino]ethyl]benzo[de]isoquinoline-1,3-dione;ethane
CID 143238286

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione (CID 126832825) is 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione is CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ccc2nccnc2n1.
What is the InChIKey of 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione?
The InChIKey is MFWXKDMZLIETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-25(12-14-27-20(28)15-5-3-4-6-16(15)21(27)29)11-13-26(2)18-8-7-17-19(24-18)23-10-9-22-17/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione?
2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione has a molecular weight of 390.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]ethyl]amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 126832825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).