N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C37H37N9O6 — CID 176816681

About N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176816681) has the molecular formula C37H37N9O6 and a molecular weight of 703.76 g/mol. Its IUPAC name is N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
• PubChem CID: 176816681
• Molecular Formula: C37H37N9O6
• Molecular Weight: 703.76 g/mol
• Exact Mass: 703.29
• IUPAC Name: N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CN(c6ccc7c(c6)C(=O)N([C@@H]6CCC(=O)NC6=O)C7=O)C5)nc4)CC3)cc2[nH]c1=O
• InChI: InChI=1S/C37H37N9O6/c1-2-22-14-29-30(41-33(22)48)13-21(16-38-29)18-43-9-11-44(12-10-43)25-4-6-28(39-17-25)34(49)40-23-19-45(20-23)24-3-5-26-27(15-24)37(52)46(36(26)51)31-7-8-32(47)42-35(31)50/h3-6,13-17,23,31H,2,7-12,18-20H2,1H3,(H,40,49)(H,41,48)(H,42,47,50)/t31-/m1/s1
• InChIKey: BYHITYAXHGTRAX-WJOKGBTCSA-N
• XLogP: 1.22
• TPSA: 181.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.76
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 176816681) is N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CN(c6ccc7c(c6)C(=O)N([C@@H]6CCC(=O)NC6=O)C7=O)C5)nc4)CC3)cc2[nH]c1=O.

What is the InChIKey of N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

The InChIKey is BYHITYAXHGTRAX-WJOKGBTCSA-N. The full InChI is InChI=1S/C37H37N9O6/c1-2-22-14-29-30(41-33(22)48)13-21(16-38-29)18-43-9-11-44(12-10-43)25-4-6-28(39-17-25)34(49)40-23-19-45(20-23)24-3-5-26-27(15-24)37(52)46(36(26)51)31-7-8-32(47)42-35(31)50/h3-6,13-17,23,31H,2,7-12,18-20H2,1H3,(H,40,49)(H,41,48)(H,42,47,50)/t31-/m1/s1.

What are the key properties of N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?

N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 703.76 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176816681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).