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

C17H17ClF3N3O2 — CID 166945776

IUPAC6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C17H17ClF3N3O2/c1-15(2)6-16(4-11(22)13(15)25)7-24(8-16)14(26)12-10(18)3-9(5-23-12)17(19,20)21/h3-5H,6-8,22H2,1-2H3
InChIKeyCDCBISVZOSVENA-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.04
Rot. Bonds1

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

6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (PubChem CID 166945776) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is 6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
PubChem CID166945776
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC Name6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C17H17ClF3N3O2/c1-15(2)6-16(4-11(22)13(15)25)7-24(8-16)14(26)12-10(18)3-9(5-23-12)17(19,20)21/h3-5H,6-8,22H2,1-2H3
InChIKeyCDCBISVZOSVENA-UHFFFAOYSA-N
XLogP3.04
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
CID 162441774
7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945794
[5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 171674775
6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945780
6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 162441983
6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
CID 162442437
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945829
(5R)-7-amino-2-[2-fluoro-6-(trifluoromethyl)benzoyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162442428
6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
CID 166946107
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945759

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The IUPAC name of 6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (CID 166945776) is 6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is CC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1ncc(C(F)(F)F)cc1Cl)C2.
What is the InChIKey of 6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The InChIKey is CDCBISVZOSVENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O2/c1-15(2)6-16(4-11(22)13(15)25)7-24(8-16)14(26)12-10(18)3-9(5-23-12)17(19,20)21/h3-5H,6-8,22H2,1-2H3.
What are the key properties of 6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one has a molecular weight of 387.79 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 166945776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).