2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H27N5O — CID 70747293

About 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one

2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70747293) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70747293
• Molecular Formula: C21H27N5O
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.22
• IUPAC Name: 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2CC3(CCCN(c4ccncc4C)C3)CCC2=O)cn1
• InChI: InChI=1S/C21H27N5O/c1-16-10-22-8-5-19(16)25-9-3-6-21(14-25)7-4-20(27)26(15-21)13-18-12-23-17(2)11-24-18/h5,8,10-12H,3-4,6-7,9,13-15H2,1-2H3
• InChIKey: GGEJEQPEGWKKSI-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70747293) is 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCCN(c4ccncc4C)C3)CCC2=O)cn1.

What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is GGEJEQPEGWKKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-10-22-8-5-19(16)25-9-3-6-21(14-25)7-4-20(27)26(15-21)13-18-12-23-17(2)11-24-18/h5,8,10-12H,3-4,6-7,9,13-15H2,1-2H3.

What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?

2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 365.48 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methylpyrazin-2-yl)methyl]-8-(3-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70747293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).