2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone

C24H29N3O2 — CID 158752571

About 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone

2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone (PubChem CID 158752571) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
• PubChem CID: 158752571
• Molecular Formula: C24H29N3O2
• Molecular Weight: 391.51 g/mol
• Exact Mass: 391.23
• IUPAC Name: 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
• SMILES: Nc1ccc(-c2ccccc2)nc1CC(=O)N1CC2CC(CC3COC3)CC2C1
• InChI: InChI=1S/C24H29N3O2/c25-21-6-7-22(18-4-2-1-3-5-18)26-23(21)11-24(28)27-12-19-9-16(10-20(19)13-27)8-17-14-29-15-17/h1-7,16-17,19-20H,8-15,25H2
• InChIKey: INQXVPVZADCQLX-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 68.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.51
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?

The IUPAC name of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone (CID 158752571) is 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone.

What is the SMILES notation for 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?

The canonical SMILES for 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone is Nc1ccc(-c2ccccc2)nc1CC(=O)N1CC2CC(CC3COC3)CC2C1.

What is the InChIKey of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?

The InChIKey is INQXVPVZADCQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c25-21-6-7-22(18-4-2-1-3-5-18)26-23(21)11-24(28)27-12-19-9-16(10-20(19)13-27)8-17-14-29-15-17/h1-7,16-17,19-20H,8-15,25H2.

What are the key properties of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?

2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone has a molecular weight of 391.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-6-phenyl-2-pyridinyl)-1-[5-(oxetan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone is sourced from PubChem (CID 158752571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).