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

C30H36F3N3O4 — CID 134218513

IUPAC1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3CC(C(F)(F)F)C3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C30H36F3N3O4/c1-34(2)27(39)24-17-36(25(37)16-23(24)20-8-4-3-5-9-20)19-29(40)12-13-35(18-28(29)10-6-7-11-28)26(38)21-14-22(15-21)30(31,32)33/h3-5,8-9,16-17,21-22,40H,6-7,10-15,18-19H2,1-2H3
InChIKeyWLKOJJVQWRLGIV-UHFFFAOYSA-N
MW559.63 g/mol
LogP4.33
Rot. Bonds5

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

1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 134218513) has the molecular formula C30H36F3N3O4 and a molecular weight of 559.63 g/mol. Its IUPAC name is 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID134218513
Molecular FormulaC30H36F3N3O4
Molecular Weight559.63 g/mol
Exact Mass559.27
IUPAC Name1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3CC(C(F)(F)F)C3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C30H36F3N3O4/c1-34(2)27(39)24-17-36(25(37)16-23(24)20-8-4-3-5-9-20)19-29(40)12-13-35(18-28(29)10-6-7-11-28)26(38)21-14-22(15-21)30(31,32)33/h3-5,8-9,16-17,21-22,40H,6-7,10-15,18-19H2,1-2H3
InChIKeyWLKOJJVQWRLGIV-UHFFFAOYSA-N
XLogP4.33
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.63
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

US11053213, Example 249
CID 134209645
1-{[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl}-4-(2-fluorophenyl)-N,N-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 134209667
US11053213, Example 222
CID 134209719
US11053213, Example 247
CID 134209739
US11053213, Example 226
CID 134209741
US11053213, Example 214
CID 134209839
US11053213, Example 227
CID 134209976
US11053213, Example 166
CID 134210310
US11053213, Example 164
CID 134211041
US11053213, Example 211
CID 134211134
US11053213, Example 224
CID 134211724
US11053213, Example 237
CID 134211742

Frequently Asked Questions

What is the IUPAC name of 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 134218513) is 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3CC(C(F)(F)F)C3)CC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is WLKOJJVQWRLGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N3O4/c1-34(2)27(39)24-17-36(25(37)16-23(24)20-8-4-3-5-9-20)19-29(40)12-13-35(18-28(29)10-6-7-11-28)26(38)21-14-22(15-21)30(31,32)33/h3-5,8-9,16-17,21-22,40H,6-7,10-15,18-19H2,1-2H3.
What are the key properties of 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 559.63 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[10-hydroxy-7-[3-(trifluoromethyl)cyclobutanecarbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 134218513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).