4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide

C20H23N7O5 — CID 122256827

About 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide

4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122256827) has the molecular formula C20H23N7O5 and a molecular weight of 441.45 g/mol. Its IUPAC name is 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
• PubChem CID: 122256827
• Molecular Formula: C20H23N7O5
• Molecular Weight: 441.45 g/mol
• Exact Mass: 441.18
• IUPAC Name: 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
• SMILES: Cn1c(=O)c2c(ncn2CC(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)n(C)c1=O
• InChI: InChI=1S/C20H23N7O5/c1-24-18-16(19(30)25(2)20(24)31)27(11-23-18)10-15(28)26-7-3-4-13(9-26)32-12-5-6-22-14(8-12)17(21)29/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H2,21,29)
• InChIKey: VFEMMGDVYXZOMA-UHFFFAOYSA-N
• XLogP: -1.00
• TPSA: 147.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.45
LogP ≤ 5	-1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide?

The IUPAC name of 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide (CID 122256827) is 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide.

What is the SMILES notation for 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide?

The canonical SMILES for 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide is Cn1c(=O)c2c(ncn2CC(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)n(C)c1=O.

What is the InChIKey of 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide?

The InChIKey is VFEMMGDVYXZOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O5/c1-24-18-16(19(30)25(2)20(24)31)27(11-23-18)10-15(28)26-7-3-4-13(9-26)32-12-5-6-22-14(8-12)17(21)29/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H2,21,29).

What are the key properties of 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide?

4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 441.45 g/mol, XLogP of -1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122256827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).