1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide

C28H35N3O4 — CID 166989183

IUPAC1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCNC(=O)c1cn(CC2(O)CCN(C(=O)C3CCC3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C28H35N3O4/c1-29-25(33)23-17-31(24(32)16-22(23)20-8-3-2-4-9-20)19-28(35)14-15-30(26(34)21-10-7-11-21)18-27(28)12-5-6-13-27/h2-4,8-9,16-17,21,35H,5-7,10-15,18-19H2,1H3,(H,29,33)
InChIKeyNJZNVHWEUGSIMA-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.20
Rot. Bonds5

About 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 166989183) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID166989183
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCNC(=O)c1cn(CC2(O)CCN(C(=O)C3CCC3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C28H35N3O4/c1-29-25(33)23-17-31(24(32)16-22(23)20-8-3-2-4-9-20)19-28(35)14-15-30(26(34)21-10-7-11-21)18-27(28)12-5-6-13-27/h2-4,8-9,16-17,21,35H,5-7,10-15,18-19H2,1H3,(H,29,33)
InChIKeyNJZNVHWEUGSIMA-UHFFFAOYSA-N
XLogP3.20
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 145450484
1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218904
1-[[10-hydroxy-7-[(2R)-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218906
1-[[10-hydroxy-7-(2-methyl-3-piperidin-1-ylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218548
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347160
1-[[7-(2-cyclohexyloxypropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347016
1-[[10-hydroxy-7-(4,4,4-trifluoro-3-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346883
ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
CID 134209669
1-[[7-(4,4-difluoro-3-phenylbutanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346871
1-[[(10R)-10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(4-methylpiperazine-1-carbonyl)-4-phenylpyridin-2-one
CID 139346885
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 139347103
10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid
CID 134210300

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 166989183) is 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide is CNC(=O)c1cn(CC2(O)CCN(C(=O)C3CCC3)CC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is NJZNVHWEUGSIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-29-25(33)23-17-31(24(32)16-22(23)20-8-3-2-4-9-20)19-28(35)14-15-30(26(34)21-10-7-11-21)18-27(28)12-5-6-13-27/h2-4,8-9,16-17,21,35H,5-7,10-15,18-19H2,1H3,(H,29,33).
What are the key properties of 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 166989183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).