6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one

C17H18F3N3O2 — CID 162441774

IUPAC6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ccncc1C(F)(F)F)C2
InChIInChI=1S/C17H18F3N3O2/c1-15(2)7-16(5-12(21)13(15)24)8-23(9-16)14(25)10-3-4-22-6-11(10)17(18,19)20/h3-6H,7-9,21H2,1-2H3
InChIKeyZIYGDQWHHOFGPP-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.38
Rot. Bonds1

About 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one

6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one (PubChem CID 162441774) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
PubChem CID162441774
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ccncc1C(F)(F)F)C2
InChIInChI=1S/C17H18F3N3O2/c1-15(2)7-16(5-12(21)13(15)24)8-23(9-16)14(25)10-3-4-22-6-11(10)17(18,19)20/h3-6H,7-9,21H2,1-2H3
InChIKeyZIYGDQWHHOFGPP-UHFFFAOYSA-N
XLogP2.38
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one with MolForge

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Related Compounds

Kdoam-25
CID 91810435
Kdoam-28
CID 126961672
Kdoam-29
CID 126961673
(2-Phenyl-2,7-diazaspiro[3.5]nonan-7-yl)-pyridin-4-ylmethanone
CID 3233526
N-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-isonicotinamide
CID 73351832
US10023559, Example 2
CID 118903326
N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
CID 2962169
[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
CID 3233387
[2-(2-Methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
CID 3234445
4-Carbamoyl-1-(3,3-dimethyl-2-oxo-butyl)-pyridinium
CID 12005531
N-(6-oxo-1-propyl-3-pyridinyl)pyridine-4-carboxamide
CID 47328565
8-(Dimethylamino)-5,6-isoquinolinedione
CID 363434

Frequently Asked Questions

What is the IUPAC name of 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one?
The IUPAC name of 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one (CID 162441774) is 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one is CC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ccncc1C(F)(F)F)C2.
What is the InChIKey of 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one?
The InChIKey is ZIYGDQWHHOFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-15(2)7-16(5-12(21)13(15)24)8-23(9-16)14(25)10-3-4-22-6-11(10)17(18,19)20/h3-6H,7-9,21H2,1-2H3.
What are the key properties of 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one?
6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one has a molecular weight of 353.34 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 162441774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).