N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide

C20H18F3N5O3 — CID 69398707

IUPACN-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nn1
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)14-5-2-1-4-13(14)18(30)28-11-3-10-27(19(28)31)16-9-8-15(25-26-16)17(29)24-12-6-7-12/h1-2,4-5,8-9,12H,3,6-7,10-11H2,(H,24,29)
InChIKeyBETXLQZMILBGDR-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.86
Rot. Bonds4

About N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide

N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide (PubChem CID 69398707) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
PubChem CID69398707
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC NameN-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nn1
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)14-5-2-1-4-13(14)18(30)28-11-3-10-27(19(28)31)16-9-8-15(25-26-16)17(29)24-12-6-7-12/h1-2,4-5,8-9,12H,3,6-7,10-11H2,(H,24,29)
InChIKeyBETXLQZMILBGDR-UHFFFAOYSA-N
XLogP2.86
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(2-fluorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxylic acid
CID 91452760
N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 69397044
N-hydroxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 141143829
N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 67172311
N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 91181233
N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 69398781
N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide
CID 69397773
N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11698083
6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 91588032
N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 67012400
1-cyclohexyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea
CID 11340510
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide (CID 69398707) is N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide is O=C(NC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nn1.
What is the InChIKey of N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
The InChIKey is BETXLQZMILBGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c21-20(22,23)14-5-2-1-4-13(14)18(30)28-11-3-10-27(19(28)31)16-9-8-15(25-26-16)17(29)24-12-6-7-12/h1-2,4-5,8-9,12H,3,6-7,10-11H2,(H,24,29).
What are the key properties of N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 69398707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).