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

C22H30N4OS — CID 162646402

IUPACN-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCC(Cc4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C22H30N4OS/c1-15-8-19(9-16(2)24-15)10-18-4-5-22(11-18)6-7-26(14-22)13-20-12-23-21(28-20)25-17(3)27/h8-9,12,18H,4-7,10-11,13-14H2,1-3H3,(H,23,25,27)
InChIKeyZKVUTIROLMNHNB-UHFFFAOYSA-N
MW398.58 g/mol
LogP4.35
Rot. Bonds5

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

N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 162646402) has the molecular formula C22H30N4OS and a molecular weight of 398.58 g/mol. Its IUPAC name is N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID162646402
Molecular FormulaC22H30N4OS
Molecular Weight398.58 g/mol
Exact Mass398.21
IUPAC NameN-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCC(Cc4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C22H30N4OS/c1-15-8-19(9-16(2)24-15)10-18-4-5-22(11-18)6-7-26(14-22)13-20-12-23-21(28-20)25-17(3)27/h8-9,12,18H,4-7,10-11,13-14H2,1-3H3,(H,23,25,27)
InChIKeyZKVUTIROLMNHNB-UHFFFAOYSA-N
XLogP4.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-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)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 162646402) is N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-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)methyl]-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)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CCC(Cc4cc(C)nc(C)c4)C3)C2)s1.
What is the InChIKey of N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZKVUTIROLMNHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4OS/c1-15-8-19(9-16(2)24-15)10-18-4-5-22(11-18)6-7-26(14-22)13-20-12-23-21(28-20)25-17(3)27/h8-9,12,18H,4-7,10-11,13-14H2,1-3H3,(H,23,25,27).
What are the key properties of N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.58 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 162646402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).