N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide

C22H30N4O2S — CID 162669885

About N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 162669885) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 162669885
• Molecular Formula: C22H30N4O2S
• Molecular Weight: 414.58 g/mol
• Exact Mass: 414.21
• IUPAC Name: N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(CN2CCC3(CCC(COc4cc(C)nc(C)c4)C3)C2)s1
• InChI: InChI=1S/C22H30N4O2S/c1-15-8-19(9-16(2)24-15)28-13-18-4-5-22(10-18)6-7-26(14-22)12-20-11-23-21(29-20)25-17(3)27/h8-9,11,18H,4-7,10,12-14H2,1-3H3,(H,23,25,27)
• InChIKey: SMVAWSIRNZKTBR-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.58
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 162669885) is N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CCC(COc4cc(C)nc(C)c4)C3)C2)s1.

What is the InChIKey of N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is SMVAWSIRNZKTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-15-8-19(9-16(2)24-15)28-13-18-4-5-22(10-18)6-7-26(14-22)12-20-11-23-21(29-20)25-17(3)27/h8-9,11,18H,4-7,10,12-14H2,1-3H3,(H,23,25,27).

What are the key properties of N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 414.58 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 162669885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).