6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

C19H23N5O2 — CID 154579532

About 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 154579532) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

• Compound Name: 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
• PubChem CID: 154579532
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
• SMILES: Cn1nccc1C(=O)N1CC(C(=O)NCc2ccncc2)C2(CCC2)C1
• InChI: InChI=1S/C19H23N5O2/c1-23-16(5-10-22-23)18(26)24-12-15(19(13-24)6-2-7-19)17(25)21-11-14-3-8-20-9-4-14/h3-5,8-10,15H,2,6-7,11-13H2,1H3,(H,21,25)
• InChIKey: VFGRCVALUVABIV-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?

The IUPAC name of 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (CID 154579532) is 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.

What is the SMILES notation for 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?

The canonical SMILES for 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is Cn1nccc1C(=O)N1CC(C(=O)NCc2ccncc2)C2(CCC2)C1.

What is the InChIKey of 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?

The InChIKey is VFGRCVALUVABIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-16(5-10-22-23)18(26)24-12-15(19(13-24)6-2-7-19)17(25)21-11-14-3-8-20-9-4-14/h3-5,8-10,15H,2,6-7,11-13H2,1H3,(H,21,25).

What are the key properties of 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?

6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 154579532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).