4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide

C41H44N10O8 — CID 138695585

About 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide

4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide (PubChem CID 138695585) has the molecular formula C41H44N10O8 and a molecular weight of 804.86 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 138695585
• Molecular Formula: C41H44N10O8
• Molecular Weight: 804.86 g/mol
• Exact Mass: 804.33
• IUPAC Name: 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCNC(=O)C4CC(NC(=O)c5cnc(Nc6ccc7cnccc7n6)cc5NC5CC5)C4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C41H44N10O8/c52-35-9-7-32(39(55)50-35)51-40(56)27-2-1-3-30(36(27)41(51)57)43-12-14-58-16-17-59-15-13-44-37(53)24-18-26(19-24)47-38(54)28-22-45-34(20-31(28)46-25-5-6-25)49-33-8-4-23-21-42-11-10-29(23)48-33/h1-4,8,10-11,20-22,24-26,32,43H,5-7,9,12-19H2,(H,44,53)(H,47,54)(H,50,52,55)(H2,45,46,48,49)
• InChIKey: PUFANTDWECNJRW-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 234.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	804.86
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide (CID 138695585) is 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCNC(=O)C4CC(NC(=O)c5cnc(Nc6ccc7cnccc7n6)cc5NC5CC5)C4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?

The InChIKey is PUFANTDWECNJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44N10O8/c52-35-9-7-32(39(55)50-35)51-40(56)27-2-1-3-30(36(27)41(51)57)43-12-14-58-16-17-59-15-13-44-37(53)24-18-26(19-24)47-38(54)28-22-45-34(20-31(28)46-25-5-6-25)49-33-8-4-23-21-42-11-10-29(23)48-33/h1-4,8,10-11,20-22,24-26,32,43H,5-7,9,12-19H2,(H,44,53)(H,47,54)(H,50,52,55)(H2,45,46,48,49).

What are the key properties of 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?

4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 804.86 g/mol, XLogP of 2.51, 18 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 138695585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).