N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C21H25N5O2 — CID 131649252

About N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131649252) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 131649252
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: Cc1cnc(CNC(=O)C2=NOC3(CCN(CCc4ccccc4)C3)C2)cn1
• InChI: InChI=1S/C21H25N5O2/c1-16-12-23-18(13-22-16)14-24-20(27)19-11-21(28-25-19)8-10-26(15-21)9-7-17-5-3-2-4-6-17/h2-6,12-13H,7-11,14-15H2,1H3,(H,24,27)
• InChIKey: WWSRKJGOURGTKZ-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 79.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131649252) is N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1cnc(CNC(=O)C2=NOC3(CCN(CCc4ccccc4)C3)C2)cn1.

What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is WWSRKJGOURGTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-12-23-18(13-22-16)14-24-20(27)19-11-21(28-25-19)8-10-26(15-21)9-7-17-5-3-2-4-6-17/h2-6,12-13H,7-11,14-15H2,1H3,(H,24,27).

What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131649252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).