N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H23N5O4 — CID 131653217

About N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131653217) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 131653217
• Molecular Formula: C18H23N5O4
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.18
• IUPAC Name: N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: Cc1cnc(CNC(=O)C2=NOC3(CCN(C(=O)C4CCOC4)C3)C2)cn1
• InChI: InChI=1S/C18H23N5O4/c1-12-7-20-14(8-19-12)9-21-16(24)15-6-18(27-22-15)3-4-23(11-18)17(25)13-2-5-26-10-13/h7-8,13H,2-6,9-11H2,1H3,(H,21,24)
• InChIKey: SWCMAIQTMNAXJY-UHFFFAOYSA-N
• XLogP: 0.19
• TPSA: 106.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131653217) is N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1cnc(CNC(=O)C2=NOC3(CCN(C(=O)C4CCOC4)C3)C2)cn1.

What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is SWCMAIQTMNAXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-12-7-20-14(8-19-12)9-21-16(24)15-6-18(27-22-15)3-4-23(11-18)17(25)13-2-5-26-10-13/h7-8,13H,2-6,9-11H2,1H3,(H,21,24).

What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131653217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).