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

C19H26N6O3 — CID 131653882

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

7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (PubChem CID 131653882) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
• PubChem CID: 131653882
• Molecular Formula: C19H26N6O3
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.21
• IUPAC Name: 7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
• SMILES: Cc1cnc(CNC(=O)C2=NOC3(CCN(C(=O)NC4CCCC4)C3)C2)cn1
• InChI: InChI=1S/C19H26N6O3/c1-13-9-21-15(10-20-13)11-22-17(26)16-8-19(28-24-16)6-7-25(12-19)18(27)23-14-4-2-3-5-14/h9-10,14H,2-8,11-12H2,1H3,(H,22,26)(H,23,27)
• InChIKey: HVEBRUNXBYPLBG-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 108.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (CID 131653882) is 7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.

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

The canonical SMILES for 7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is Cc1cnc(CNC(=O)C2=NOC3(CCN(C(=O)NC4CCCC4)C3)C2)cn1.

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

The InChIKey is HVEBRUNXBYPLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-13-9-21-15(10-20-13)11-22-17(26)16-8-19(28-24-16)6-7-25(12-19)18(27)23-14-4-2-3-5-14/h9-10,14H,2-8,11-12H2,1H3,(H,22,26)(H,23,27).

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

7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide has a molecular weight of 386.46 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is sourced from PubChem (CID 131653882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).