(2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide

C21H29N3O2 — CID 97493139

About (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide

(2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97493139) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
• PubChem CID: 97493139
• Molecular Formula: C21H29N3O2
• Molecular Weight: 355.48 g/mol
• Exact Mass: 355.23
• IUPAC Name: (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
• SMILES: CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)CC1CCCC1)C2
• InChI: InChI=1S/C21H29N3O2/c1-23(14-17-8-4-5-10-22-17)20(26)18-13-21(18)9-11-24(15-21)19(25)12-16-6-2-3-7-16/h4-5,8,10,16,18H,2-3,6-7,9,11-15H2,1H3/t18-,21+/m0/s1
• InChIKey: PYBDZSUTGNLKPH-GHTZIAJQSA-N
• XLogP: 2.86
• TPSA: 53.51 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.48
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?

The IUPAC name of (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 97493139) is (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide.

What is the SMILES notation for (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?

The canonical SMILES for (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide is CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)CC1CCCC1)C2.

What is the InChIKey of (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?

The InChIKey is PYBDZSUTGNLKPH-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-23(14-17-8-4-5-10-22-17)20(26)18-13-21(18)9-11-24(15-21)19(25)12-16-6-2-3-7-16/h4-5,8,10,16,18H,2-3,6-7,9,11-15H2,1H3/t18-,21+/m0/s1.

What are the key properties of (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?

(2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97493139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).