11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C21H23N3O3 — CID 171153284

About 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 171153284) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 171153284
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: COc1nc2c(cc1C(=O)N1CC3CC(C1)c1cccc(=O)n1C3)CCC2
• InChI: InChI=1S/C21H23N3O3/c1-27-20-16(9-14-4-2-5-17(14)22-20)21(26)23-10-13-8-15(12-23)18-6-3-7-19(25)24(18)11-13/h3,6-7,9,13,15H,2,4-5,8,10-12H2,1H3
• InChIKey: KZXHXKDMHQLLQX-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 171153284) is 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is COc1nc2c(cc1C(=O)N1CC3CC(C1)c1cccc(=O)n1C3)CCC2.

What is the InChIKey of 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is KZXHXKDMHQLLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-20-16(9-14-4-2-5-17(14)22-20)21(26)23-10-13-8-15(12-23)18-6-3-7-19(25)24(18)11-13/h3,6-7,9,13,15H,2,4-5,8,10-12H2,1H3.

What are the key properties of 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 365.43 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 171153284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).