2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C20H25N5O2 — CID 126929839

About 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126929839) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

• Compound Name: 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
• PubChem CID: 126929839
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
• SMILES: CN1CC(CN2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)CCC1=O
• InChI: InChI=1S/C20H25N5O2/c1-23-10-15(2-4-19(23)26)11-24-12-16(13-24)14-25-20(27)5-3-18(22-25)17-6-8-21-9-7-17/h3,5-9,15-16H,2,4,10-14H2,1H3
• InChIKey: AKFIQKWROWQDHB-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 71.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?

The IUPAC name of 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126929839) is 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

What is the SMILES notation for 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?

The canonical SMILES for 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is CN1CC(CN2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)CCC1=O.

What is the InChIKey of 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?

The InChIKey is AKFIQKWROWQDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23-10-15(2-4-19(23)26)11-24-12-16(13-24)14-25-20(27)5-3-18(22-25)17-6-8-21-9-7-17/h3,5-9,15-16H,2,4,10-14H2,1H3.

What are the key properties of 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?

2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 367.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126929839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).