1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide

C31H40FN3O4 — CID 146660001

IUPAC1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)CCC3CCC3)CC23CCCC3)c(=O)cc1-c1ccccc1F
InChIInChI=1S/C31H40FN3O4/c1-33(2)29(38)25-19-35(28(37)18-24(25)23-10-3-4-11-26(23)32)21-31(39)16-17-34(20-30(31)14-5-6-15-30)27(36)13-12-22-8-7-9-22/h3-4,10-11,18-19,22,39H,5-9,12-17,20-21H2,1-2H3
InChIKeyYXOITVZEVUCQFZ-UHFFFAOYSA-N
MW537.68 g/mol
LogP4.46
Rot. Bonds7

About 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide

1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 146660001) has the molecular formula C31H40FN3O4 and a molecular weight of 537.68 g/mol. Its IUPAC name is 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID146660001
Molecular FormulaC31H40FN3O4
Molecular Weight537.68 g/mol
Exact Mass537.30
IUPAC Name1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)CCC3CCC3)CC23CCCC3)c(=O)cc1-c1ccccc1F
InChIInChI=1S/C31H40FN3O4/c1-33(2)29(38)25-19-35(28(37)18-24(25)23-10-3-4-11-26(23)32)21-31(39)16-17-34(20-30(31)14-5-6-15-30)27(36)13-12-22-8-7-9-22/h3-4,10-11,18-19,22,39H,5-9,12-17,20-21H2,1-2H3
InChIKeyYXOITVZEVUCQFZ-UHFFFAOYSA-N
XLogP4.46
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.68
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-[[(10R)-7-(3-cyclobutyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 139347063
1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 134218798
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-(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-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 134209622
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-[(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
[2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid
CID 134209828
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-[[7-(2-cyclohexyloxypropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347016
10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid
CID 134210300
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

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide (CID 146660001) is 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide is CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)CCC3CCC3)CC23CCCC3)c(=O)cc1-c1ccccc1F.
What is the InChIKey of 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is YXOITVZEVUCQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40FN3O4/c1-33(2)29(38)25-19-35(28(37)18-24(25)23-10-3-4-11-26(23)32)21-31(39)16-17-34(20-30(31)14-5-6-15-30)27(36)13-12-22-8-7-9-22/h3-4,10-11,18-19,22,39H,5-9,12-17,20-21H2,1-2H3.
What are the key properties of 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 537.68 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 146660001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).