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

C18H20N4O3 — CID 97491586

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

(5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491586) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97491586
• Molecular Formula: C18H20N4O3
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.15
• IUPAC Name: (5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: O=C(NCc1ccco1)C1=NO[C@]2(CCN(Cc3ccccn3)C2)C1
• InChI: InChI=1S/C18H20N4O3/c23-17(20-11-15-5-3-9-24-15)16-10-18(25-21-16)6-8-22(13-18)12-14-4-1-2-7-19-14/h1-5,7,9H,6,8,10-13H2,(H,20,23)/t18-/m1/s1
• InChIKey: IYKMTMUMSWFLKZ-GOSISDBHSA-N
• XLogP: 1.71
• TPSA: 79.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.38
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491586) is (5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

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

The canonical SMILES for (5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1ccco1)C1=NO[C@]2(CCN(Cc3ccccn3)C2)C1.

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

The InChIKey is IYKMTMUMSWFLKZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(20-11-15-5-3-9-24-15)16-10-18(25-21-16)6-8-22(13-18)12-14-4-1-2-7-19-14/h1-5,7,9H,6,8,10-13H2,(H,20,23)/t18-/m1/s1.

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

(5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).