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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).