4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

C21H30N4O3 — CID 155295648

About 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (PubChem CID 155295648) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
• PubChem CID: 155295648
• Molecular Formula: C21H30N4O3
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.23
• IUPAC Name: 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
• SMILES: COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(CC1CCCC(=O)N1)C2
• InChI: InChI=1S/C21H30N4O3/c1-28-21(14-8-9-23-18(10-14)20(22)27)15-4-2-5-16(21)12-25(11-15)13-17-6-3-7-19(26)24-17/h8-10,15-17H,2-7,11-13H2,1H3,(H2,22,27)(H,24,26)
• InChIKey: OCYWOHGYIUBYPL-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?

The IUPAC name of 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (CID 155295648) is 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.

What is the SMILES notation for 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?

The canonical SMILES for 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(CC1CCCC(=O)N1)C2.

What is the InChIKey of 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?

The InChIKey is OCYWOHGYIUBYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-28-21(14-8-9-23-18(10-14)20(22)27)15-4-2-5-16(21)12-25(11-15)13-17-6-3-7-19(26)24-17/h8-10,15-17H,2-7,11-13H2,1H3,(H2,22,27)(H,24,26).

What are the key properties of 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?

4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155295648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).