N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide

C17H23F3N4O3 — CID 55875298

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C17H23F3N4O3/c1-16(2,3)21-13(25)8-23(4)14(26)9-24-15(27)11(17(18,19)20)7-12(22-24)10-5-6-10/h7,10H,5-6,8-9H2,1-4H3,(H,21,25)
InChIKeyNWCRIBNEINDFQE-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.51
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide (PubChem CID 55875298) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide
PubChem CID55875298
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C17H23F3N4O3/c1-16(2,3)21-13(25)8-23(4)14(26)9-24-15(27)11(17(18,19)20)7-12(22-24)10-5-6-10/h7,10H,5-6,8-9H2,1-4H3,(H,21,25)
InChIKeyNWCRIBNEINDFQE-UHFFFAOYSA-N
XLogP1.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide (CID 55875298) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide is CN(CC(=O)NC(C)(C)C)C(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide?
The InChIKey is NWCRIBNEINDFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-16(2,3)21-13(25)8-23(4)14(26)9-24-15(27)11(17(18,19)20)7-12(22-24)10-5-6-10/h7,10H,5-6,8-9H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide has a molecular weight of 388.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55875298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).