2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H25N5O3 — CID 72918778

About 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72918778) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72918778
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)c2ccc[nH]c2=O)CC3)cn1
• InChI: InChI=1S/C21H25N5O3/c1-15-11-24-16(12-23-15)13-26-14-21(5-4-18(26)27)6-9-25(10-7-21)20(29)17-3-2-8-22-19(17)28/h2-3,8,11-12H,4-7,9-10,13-14H2,1H3,(H,22,28)
• InChIKey: WFFJRHLACWARQD-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72918778) is 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)c2ccc[nH]c2=O)CC3)cn1.

What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is WFFJRHLACWARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15-11-24-16(12-23-15)13-26-14-21(5-4-18(26)27)6-9-25(10-7-21)20(29)17-3-2-8-22-19(17)28/h2-3,8,11-12H,4-7,9-10,13-14H2,1H3,(H,22,28).

What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?

2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 395.46 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methylpyrazin-2-yl)methyl]-9-(2-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72918778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).