7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C17H23N5O4 — CID 134079617

About 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 134079617) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 134079617
• Molecular Formula: C17H23N5O4
• Molecular Weight: 361.40 g/mol
• Exact Mass: 361.18
• IUPAC Name: 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: COc1cc(N2CCC3(CC(C(=O)NCC4CCCO4)=NO3)C2)ncn1
• InChI: InChI=1S/C17H23N5O4/c1-24-15-7-14(19-11-20-15)22-5-4-17(10-22)8-13(21-26-17)16(23)18-9-12-3-2-6-25-12/h7,11-12H,2-6,8-10H2,1H3,(H,18,23)
• InChIKey: NHUBJATXZPWFDW-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 98.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.40
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 134079617) is 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is COc1cc(N2CCC3(CC(C(=O)NCC4CCCO4)=NO3)C2)ncn1.

What is the InChIKey of 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is NHUBJATXZPWFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-24-15-7-14(19-11-20-15)22-5-4-17(10-22)8-13(21-26-17)16(23)18-9-12-3-2-6-25-12/h7,11-12H,2-6,8-10H2,1H3,(H,18,23).

What are the key properties of 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 134079617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).