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

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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).