2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide

C18H23N7O4S — CID 122314407

IUPAC2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)NCCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C18H23N7O4S/c26-17-5-3-6-18(27)25(17)10-11-30(28,29)23-9-8-20-15-12-16(22-13-21-15)24-14-4-1-2-7-19-14/h1-2,4,7,12-13,23H,3,5-6,8-11H2,(H2,19,20,21,22,24)
InChIKeyLAPXZZLUGMLUES-UHFFFAOYSA-N
MW433.49 g/mol
LogP0.49
Rot. Bonds10

About 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide

2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide (PubChem CID 122314407) has the molecular formula C18H23N7O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide
PubChem CID122314407
Molecular FormulaC18H23N7O4S
Molecular Weight433.49 g/mol
Exact Mass433.15
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)NCCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C18H23N7O4S/c26-17-5-3-6-18(27)25(17)10-11-30(28,29)23-9-8-20-15-12-16(22-13-21-15)24-14-4-1-2-7-19-14/h1-2,4,7,12-13,23H,3,5-6,8-11H2,(H2,19,20,21,22,24)
InChIKeyLAPXZZLUGMLUES-UHFFFAOYSA-N
XLogP0.49
TPSA146.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide (CID 122314407) is 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide is O=C1CCCC(=O)N1CCS(=O)(=O)NCCNc1cc(Nc2ccccn2)ncn1.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide?
The InChIKey is LAPXZZLUGMLUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O4S/c26-17-5-3-6-18(27)25(17)10-11-30(28,29)23-9-8-20-15-12-16(22-13-21-15)24-14-4-1-2-7-19-14/h1-2,4,7,12-13,23H,3,5-6,8-11H2,(H2,19,20,21,22,24).
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide?
2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide has a molecular weight of 433.49 g/mol, XLogP of 0.49, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 122314407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).