7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide

C20H27N5O3 — CID 131640383

About 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide

7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (PubChem CID 131640383) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
• PubChem CID: 131640383
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
• SMILES: O=C(NCc1cccnc1)C1=NOC2(CCN(C(=O)NC3CCCCC3)C2)C1
• InChI: InChI=1S/C20H27N5O3/c26-18(22-13-15-5-4-9-21-12-15)17-11-20(28-24-17)8-10-25(14-20)19(27)23-16-6-2-1-3-7-16/h4-5,9,12,16H,1-3,6-8,10-11,13-14H2,(H,22,26)(H,23,27)
• InChIKey: HKEWLUSMVKQEPY-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 95.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?

The IUPAC name of 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (CID 131640383) is 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.

What is the SMILES notation for 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?

The canonical SMILES for 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is O=C(NCc1cccnc1)C1=NOC2(CCN(C(=O)NC3CCCCC3)C2)C1.

What is the InChIKey of 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?

The InChIKey is HKEWLUSMVKQEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-18(22-13-15-5-4-9-21-12-15)17-11-20(28-24-17)8-10-25(14-20)19(27)23-16-6-2-1-3-7-16/h4-5,9,12,16H,1-3,6-8,10-11,13-14H2,(H,22,26)(H,23,27).

What are the key properties of 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?

7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is sourced from PubChem (CID 131640383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).