N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide

C21H21F2N3O3 — CID 169410817

IUPACN-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NC1CC12CCN(C(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C21H21F2N3O3/c22-15-5-4-14(11-16(15)23)20(29)25-9-6-21(7-10-25)12-17(21)24-18(27)13-26-8-2-1-3-19(26)28/h1-5,8,11,17H,6-7,9-10,12-13H2,(H,24,27)
InChIKeyVFCCXJQRZMSMGH-UHFFFAOYSA-N
MW401.41 g/mol
LogP1.94
Rot. Bonds4

About N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide

N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 169410817) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID169410817
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC NameN-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NC1CC12CCN(C(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C21H21F2N3O3/c22-15-5-4-14(11-16(15)23)20(29)25-9-6-21(7-10-25)12-17(21)24-18(27)13-26-8-2-1-3-19(26)28/h1-5,8,11,17H,6-7,9-10,12-13H2,(H,24,27)
InChIKeyVFCCXJQRZMSMGH-UHFFFAOYSA-N
XLogP1.94
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 135109433
N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide
CID 169419360
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197
4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide
CID 171685278
N-[6-(3H-benzimidazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]-2-(3-nitrophenyl)acetamide
CID 171673684
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30501843
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethanethioamide
CID 63336063
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 55586596
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 55590865
(3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97482492

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide (CID 169410817) is N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)NC1CC12CCN(C(=O)c1ccc(F)c(F)c1)CC2.
What is the InChIKey of N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is VFCCXJQRZMSMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c22-15-5-4-14(11-16(15)23)20(29)25-9-6-21(7-10-25)12-17(21)24-18(27)13-26-8-2-1-3-19(26)28/h1-5,8,11,17H,6-7,9-10,12-13H2,(H,24,27).
What are the key properties of N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 401.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 169410817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).