N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H20N4O3 — CID 131655320

About N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131655320) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 131655320
• Molecular Formula: C18H20N4O3
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.15
• IUPAC Name: N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: O=C(NCc1ccco1)C1=NOC2(CCN(Cc3ccncc3)C2)C1
• InChI: InChI=1S/C18H20N4O3/c23-17(20-11-15-2-1-9-24-15)16-10-18(25-21-16)5-8-22(13-18)12-14-3-6-19-7-4-14/h1-4,6-7,9H,5,8,10-13H2,(H,20,23)
• InChIKey: RFXRPTRVOKUJHB-UHFFFAOYSA-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 N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131655320) is N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1ccco1)C1=NOC2(CCN(Cc3ccncc3)C2)C1.

What is the InChIKey of N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

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

What are the key properties of N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

N-(furan-2-ylmethyl)-7-(pyridin-4-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 N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131655320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).