N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide

C17H17F3N4O3 — CID 146794523

IUPACN-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(OCC(F)(F)F)nc2)ccc1=O)NC1CCC1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)10-27-15-6-4-11(8-21-15)13-5-7-16(26)24(23-13)9-14(25)22-12-2-1-3-12/h4-8,12H,1-3,9-10H2,(H,22,25)
InChIKeyRWMMRFWSHUNKFC-UHFFFAOYSA-N
MW382.34 g/mol
LogP1.92
Rot. Bonds6

About N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide

N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide (PubChem CID 146794523) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
PubChem CID146794523
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(OCC(F)(F)F)nc2)ccc1=O)NC1CCC1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)10-27-15-6-4-11(8-21-15)13-5-7-16(26)24(23-13)9-14(25)22-12-2-1-3-12/h4-8,12H,1-3,9-10H2,(H,22,25)
InChIKeyRWMMRFWSHUNKFC-UHFFFAOYSA-N
XLogP1.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
The IUPAC name of N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide (CID 146794523) is N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
The canonical SMILES for N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccc(OCC(F)(F)F)nc2)ccc1=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
The InChIKey is RWMMRFWSHUNKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c18-17(19,20)10-27-15-6-4-11(8-21-15)13-5-7-16(26)24(23-13)9-14(25)22-12-2-1-3-12/h4-8,12H,1-3,9-10H2,(H,22,25).
What are the key properties of N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide has a molecular weight of 382.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide is sourced from PubChem (CID 146794523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).