N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

C18H27N5O2 — CID 70776193

About N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 70776193) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
• PubChem CID: 70776193
• Molecular Formula: C18H27N5O2
• Molecular Weight: 345.45 g/mol
• Exact Mass: 345.22
• IUPAC Name: N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
• SMILES: CCNC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1
• InChI: InChI=1S/C18H27N5O2/c1-3-19-17(25)22-8-4-6-18(12-22)7-5-16(24)23(13-18)11-15-10-20-14(2)9-21-15/h9-10H,3-8,11-13H2,1-2H3,(H,19,25)
• InChIKey: XSTZDKNBDCBHPJ-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.45
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?

The IUPAC name of N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 70776193) is N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.

What is the SMILES notation for N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?

The canonical SMILES for N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is CCNC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1.

What is the InChIKey of N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?

The InChIKey is XSTZDKNBDCBHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-19-17(25)22-8-4-6-18(12-22)7-5-16(24)23(13-18)11-15-10-20-14(2)9-21-15/h9-10H,3-8,11-13H2,1-2H3,(H,19,25).

What are the key properties of N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?

N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 70776193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).