2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C20H22N4O3 — CID 167710900

About 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 167710900) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
• PubChem CID: 167710900
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
• SMILES: C#CCC1NC(=C)N(C2CC3(CC(Oc4ncccc4C(N)=O)C3)C2)C1=O
• InChI: InChI=1S/C20H22N4O3/c1-3-5-16-19(26)24(12(2)23-16)13-8-20(9-13)10-14(11-20)27-18-15(17(21)25)6-4-7-22-18/h1,4,6-7,13-14,16,23H,2,5,8-11H2,(H2,21,25)
• InChIKey: AWLTZQLDJBEOHN-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?

The IUPAC name of 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 167710900) is 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

What is the SMILES notation for 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?

The canonical SMILES for 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is C#CCC1NC(=C)N(C2CC3(CC(Oc4ncccc4C(N)=O)C3)C2)C1=O.

What is the InChIKey of 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?

The InChIKey is AWLTZQLDJBEOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-5-16-19(26)24(12(2)23-16)13-8-20(9-13)10-14(11-20)27-18-15(17(21)25)6-4-7-22-18/h1,4,6-7,13-14,16,23H,2,5,8-11H2,(H2,21,25).

What are the key properties of 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?

2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 167710900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).