2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

C17H25N3O2 — CID 134555308

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (PubChem CID 134555308) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.

Molecular Properties

• Compound Name: 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
• PubChem CID: 134555308
• Molecular Formula: C17H25N3O2
• Molecular Weight: 303.41 g/mol
• Exact Mass: 303.19
• IUPAC Name: 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
• SMILES: CC(C)c1ccc2c(n1)CCN(C(=O)CN1CC[C@H](O)C1)C2
• InChI: InChI=1S/C17H25N3O2/c1-12(2)15-4-3-13-9-20(8-6-16(13)18-15)17(22)11-19-7-5-14(21)10-19/h3-4,12,14,21H,5-11H2,1-2H3/t14-/m0/s1
• InChIKey: ZOZJOINJZARIGA-AWEZNQCLSA-N
• XLogP: 1.16
• TPSA: 56.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.41
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?

The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (CID 134555308) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.

What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?

The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is CC(C)c1ccc2c(n1)CCN(C(=O)CN1CC[C@H](O)C1)C2.

What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?

The InChIKey is ZOZJOINJZARIGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)15-4-3-13-9-20(8-6-16(13)18-15)17(22)11-19-7-5-14(21)10-19/h3-4,12,14,21H,5-11H2,1-2H3/t14-/m0/s1.

What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?

2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is sourced from PubChem (CID 134555308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).