(5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C17H22N4O3 — CID 97491560

About (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491560) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97491560
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: CC(C)C(=O)N1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1
• InChI: InChI=1S/C17H22N4O3/c1-12(2)16(23)21-7-5-17(11-21)8-14(20-24-17)15(22)19-10-13-4-3-6-18-9-13/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3,(H,19,22)/t17-/m1/s1
• InChIKey: SCWHHGAOJLNIIK-QGZVFWFLSA-N
• XLogP: 1.10
• TPSA: 83.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491560) is (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CC(C)C(=O)N1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1.

What is the InChIKey of (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is SCWHHGAOJLNIIK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12(2)16(23)21-7-5-17(11-21)8-14(20-24-17)15(22)19-10-13-4-3-6-18-9-13/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3,(H,19,22)/t17-/m1/s1.

What are the key properties of (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

(5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).