8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H35N3O2 — CID 70759443

IUPAC8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1c[nH]c(CN2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)c(C)c1=O
InChIInChI=1S/C22H35N3O2/c1-16(2)7-11-25-15-22(9-6-20(25)26)8-5-10-24(14-22)13-19-18(4)21(27)17(3)12-23-19/h12,16H,5-11,13-15H2,1-4H3,(H,23,27)
InChIKeyLZGDXWIEVZZXQD-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.24
Rot. Bonds5

About 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one

8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70759443) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70759443
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1c[nH]c(CN2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)c(C)c1=O
InChIInChI=1S/C22H35N3O2/c1-16(2)7-11-25-15-22(9-6-20(25)26)8-5-10-24(14-22)13-19-18(4)21(27)17(3)12-23-19/h12,16H,5-11,13-15H2,1-4H3,(H,23,27)
InChIKeyLZGDXWIEVZZXQD-UHFFFAOYSA-N
XLogP3.24
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70759443) is 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1c[nH]c(CN2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)c(C)c1=O.
What is the InChIKey of 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is LZGDXWIEVZZXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-16(2)7-11-25-15-22(9-6-20(25)26)8-5-10-24(14-22)13-19-18(4)21(27)17(3)12-23-19/h12,16H,5-11,13-15H2,1-4H3,(H,23,27).
What are the key properties of 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 373.54 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70759443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).