N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide

C17H15F3N4O2 — CID 166309716

IUPACN-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1=O)c1nnccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)13-5-7-22-23-14(13)15(25)21-8-10-24-9-6-11-3-1-2-4-12(11)16(24)26/h1-5,7H,6,8-10H2,(H,21,25)
InChIKeyGPICZSSZTWNWJK-UHFFFAOYSA-N
MW364.33 g/mol
LogP1.92
Rot. Bonds4

About N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide

N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide (PubChem CID 166309716) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide
PubChem CID166309716
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC NameN-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1=O)c1nnccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)13-5-7-22-23-14(13)15(25)21-8-10-24-9-6-11-3-1-2-4-12(11)16(24)26/h1-5,7H,6,8-10H2,(H,21,25)
InChIKeyGPICZSSZTWNWJK-UHFFFAOYSA-N
XLogP1.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide (CID 166309716) is N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide is O=C(NCCN1CCc2ccccc2C1=O)c1nnccc1C(F)(F)F.
What is the InChIKey of N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide?
The InChIKey is GPICZSSZTWNWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)13-5-7-22-23-14(13)15(25)21-8-10-24-9-6-11-3-1-2-4-12(11)16(24)26/h1-5,7H,6,8-10H2,(H,21,25).
What are the key properties of N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide?
N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-4-(trifluoromethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 166309716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).