1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C20H23N3O3 — CID 118739746

About 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118739746) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 118739746
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
• SMILES: Cc1occc1C(=O)N1CCC2(CC1)CC(c1cccnc1)C(=O)N2C
• InChI: InChI=1S/C20H23N3O3/c1-14-16(5-11-26-14)19(25)23-9-6-20(7-10-23)12-17(18(24)22(20)2)15-4-3-8-21-13-15/h3-5,8,11,13,17H,6-7,9-10,12H2,1-2H3
• InChIKey: HJQKDNWSZOYRDH-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 118739746) is 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is Cc1occc1C(=O)N1CCC2(CC1)CC(c1cccnc1)C(=O)N2C.

What is the InChIKey of 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

The InChIKey is HJQKDNWSZOYRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-16(5-11-26-14)19(25)23-9-6-20(7-10-23)12-17(18(24)22(20)2)15-4-3-8-21-13-15/h3-5,8,11,13,17H,6-7,9-10,12H2,1-2H3.

What are the key properties of 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 353.42 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118739746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).