2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone

C21H26N4O2 — CID 129475234

About 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone

2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone (PubChem CID 129475234) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
• PubChem CID: 129475234
• Molecular Formula: C21H26N4O2
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.21
• IUPAC Name: 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
• SMILES: Cc1ccc(CC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cn1
• InChI: InChI=1S/C21H26N4O2/c1-16-6-7-17(14-23-16)13-20(26)25-12-8-18(15-25)27-19-5-4-9-22-21(19)24-10-2-3-11-24/h4-7,9,14,18H,2-3,8,10-13,15H2,1H3/t18-/m0/s1
• InChIKey: LXYRMQIFKMAGPP-SFHVURJKSA-N
• XLogP: 2.61
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone (CID 129475234) is 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cn1.

What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone?

The InChIKey is LXYRMQIFKMAGPP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-6-7-17(14-23-16)13-20(26)25-12-8-18(15-25)27-19-5-4-9-22-21(19)24-10-2-3-11-24/h4-7,9,14,18H,2-3,8,10-13,15H2,1H3/t18-/m0/s1.

What are the key properties of 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone?

2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone has a molecular weight of 366.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129475234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).