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

C17H24N4O2 — CID 97491554

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

(5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491554) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97491554
• Molecular Formula: C17H24N4O2
• Molecular Weight: 316.40 g/mol
• Exact Mass: 316.19
• IUPAC Name: (5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: CC(C)CN1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1
• InChI: InChI=1S/C17H24N4O2/c1-13(2)11-21-7-5-17(12-21)8-15(20-23-17)16(22)19-10-14-4-3-6-18-9-14/h3-4,6,9,13H,5,7-8,10-12H2,1-2H3,(H,19,22)/t17-/m1/s1
• InChIKey: OHXBJHMTAQQFMU-QGZVFWFLSA-N
• XLogP: 1.57
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.40
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491554) is (5R)-7-(2-methylpropyl)-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-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CC(C)CN1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1.

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

The InChIKey is OHXBJHMTAQQFMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)11-21-7-5-17(12-21)8-15(20-23-17)16(22)19-10-14-4-3-6-18-9-14/h3-4,6,9,13H,5,7-8,10-12H2,1-2H3,(H,19,22)/t17-/m1/s1.

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

(5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).