7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C16H20N4O3 — CID 131655216

About 7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131655216) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 131655216
• Molecular Formula: C16H20N4O3
• Molecular Weight: 316.36 g/mol
• Exact Mass: 316.15
• IUPAC Name: 7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: O=C(Nc1cccnc1)C1=NOC2(CCN(C3CCOC3)C2)C1
• InChI: InChI=1S/C16H20N4O3/c21-15(18-12-2-1-5-17-9-12)14-8-16(23-19-14)4-6-20(11-16)13-3-7-22-10-13/h1-2,5,9,13H,3-4,6-8,10-11H2,(H,18,21)
• InChIKey: PJBJWLNKMBECRG-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 76.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.36
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131655216) is 7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

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

The canonical SMILES for 7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(Nc1cccnc1)C1=NOC2(CCN(C3CCOC3)C2)C1.

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

The InChIKey is PJBJWLNKMBECRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-15(18-12-2-1-5-17-9-12)14-8-16(23-19-14)4-6-20(11-16)13-3-7-22-10-13/h1-2,5,9,13H,3-4,6-8,10-11H2,(H,18,21).

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

7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131655216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).