N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide

C26H28N4O2 — CID 132942333

About N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide

N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 132942333) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide
• PubChem CID: 132942333
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide
• SMILES: C=CC1CN2CCC1CC2[C@H](NC(=O)c1ccccn1)c1ccnc2ccc(OC)cc12
• InChI: InChI=1S/C26H28N4O2/c1-3-17-16-30-13-10-18(17)14-24(30)25(29-26(31)23-6-4-5-11-27-23)20-9-12-28-22-8-7-19(32-2)15-21(20)22/h3-9,11-12,15,17-18,24-25H,1,10,13-14,16H2,2H3,(H,29,31)/t17?,18?,24?,25-/m1/s1
• InChIKey: UOWYDTRNOHXVNA-MNUCJYFHSA-N
• XLogP: 4.01
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide?

The IUPAC name of N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide (CID 132942333) is N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide is C=CC1CN2CCC1CC2[C@H](NC(=O)c1ccccn1)c1ccnc2ccc(OC)cc12.

What is the InChIKey of N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide?

The InChIKey is UOWYDTRNOHXVNA-MNUCJYFHSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-3-17-16-30-13-10-18(17)14-24(30)25(29-26(31)23-6-4-5-11-27-23)20-9-12-28-22-8-7-19(32-2)15-21(20)22/h3-9,11-12,15,17-18,24-25H,1,10,13-14,16H2,2H3,(H,29,31)/t17?,18?,24?,25-/m1/s1.

What are the key properties of N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide?

N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 132942333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).