(5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one

C22H25N3O2 — CID 58237187

IUPAC(5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
SMILESCc1cccc(N2CC[C@]3(CCC[C@H](CC(=O)c4ccccn4)C3)C2=O)n1
InChIInChI=1S/C22H25N3O2/c1-16-6-4-9-20(24-16)25-13-11-22(21(25)27)10-5-7-17(15-22)14-19(26)18-8-2-3-12-23-18/h2-4,6,8-9,12,17H,5,7,10-11,13-15H2,1H3/t17-,22+/m1/s1
InChIKeyUSZHSLOYVHXKML-VGSWGCGISA-N
MW363.46 g/mol
LogP3.97
Rot. Bonds4

About (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one

(5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 58237187) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
PubChem CID58237187
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
SMILESCc1cccc(N2CC[C@]3(CCC[C@H](CC(=O)c4ccccn4)C3)C2=O)n1
InChIInChI=1S/C22H25N3O2/c1-16-6-4-9-20(24-16)25-13-11-22(21(25)27)10-5-7-17(15-22)14-19(26)18-8-2-3-12-23-18/h2-4,6,8-9,12,17H,5,7,10-11,13-15H2,1H3/t17-,22+/m1/s1
InChIKeyUSZHSLOYVHXKML-VGSWGCGISA-N
XLogP3.97
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
CID 58237327
6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile
CID 58237193
N-[2-(6-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 75951010
6-methyl-N-[(5S,7R)-2-(5-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912074
(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one
CID 58237246
N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 52912119
6-methyl-N-[(5S,7R)-2-(2-methyl-4-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912120
2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
CID 63555756
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52911401
4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
CID 58237221
N-[(5S,7S)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 67108689

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one (CID 58237187) is (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one is Cc1cccc(N2CC[C@]3(CCC[C@H](CC(=O)c4ccccn4)C3)C2=O)n1.
What is the InChIKey of (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is USZHSLOYVHXKML-VGSWGCGISA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-6-4-9-20(24-16)25-13-11-22(21(25)27)10-5-7-17(15-22)14-19(26)18-8-2-3-12-23-18/h2-4,6,8-9,12,17H,5,7,10-11,13-15H2,1H3/t17-,22+/m1/s1.
What are the key properties of (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
(5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2-(6-methyl-2-pyridinyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58237187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).