(2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

C18H26N4O2 — CID 97493125

About (2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

(2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (PubChem CID 97493125) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.

Molecular Properties

• Compound Name: (2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
• PubChem CID: 97493125
• Molecular Formula: C18H26N4O2
• Molecular Weight: 330.43 g/mol
• Exact Mass: 330.21
• IUPAC Name: (2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
• SMILES: CC(C)NC(=O)N1CC[C@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1
• InChI: InChI=1S/C18H26N4O2/c1-13(2)20-17(24)22-9-7-18(12-22)10-15(18)16(23)21(3)11-14-6-4-5-8-19-14/h4-6,8,13,15H,7,9-12H2,1-3H3,(H,20,24)/t15-,18-/m0/s1
• InChIKey: FQUQMTKRKHJSHH-YJBOKZPZSA-N
• XLogP: 1.87
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.43
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (CID 97493125) is (2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.

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

The canonical SMILES for (2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is CC(C)NC(=O)N1CC[C@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1.

What is the InChIKey of (2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?

The InChIKey is FQUQMTKRKHJSHH-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)20-17(24)22-9-7-18(12-22)10-15(18)16(23)21(3)11-14-6-4-5-8-19-14/h4-6,8,13,15H,7,9-12H2,1-3H3,(H,20,24)/t15-,18-/m0/s1.

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

(2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is sourced from PubChem (CID 97493125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).