N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide

C18H10F6N4O3 — CID 150069297

IUPACN-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)cnc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H10F6N4O3/c19-17(20,21)10-7-14(15(29)28-11-5-6-26-27-9-11)16(25-8-10)30-12-1-3-13(4-2-12)31-18(22,23)24/h1-9H,(H,26,28,29)
InChIKeyDOXVXAMREHIIGM-UHFFFAOYSA-N
MW444.29 g/mol
LogP4.83
Rot. Bonds5

About N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide

N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 150069297) has the molecular formula C18H10F6N4O3 and a molecular weight of 444.29 g/mol. Its IUPAC name is N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID150069297
Molecular FormulaC18H10F6N4O3
Molecular Weight444.29 g/mol
Exact Mass444.07
IUPAC NameN-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)cnc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H10F6N4O3/c19-17(20,21)10-7-14(15(29)28-11-5-6-26-27-9-11)16(25-8-10)30-12-1-3-13(4-2-12)31-18(22,23)24/h1-9H,(H,26,28,29)
InChIKeyDOXVXAMREHIIGM-UHFFFAOYSA-N
XLogP4.83
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151376738
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151579165
N-(3-methylsulfonylphenyl)-2-[3-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167197826
3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167320443
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151756936
N-(1-hydroxypyridin-1-ium-3-yl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 170241955
N-(3-methylsulfonylphenyl)-2-phenoxy-5-(trifluoromethyl)pyridine-3-carboxamide
CID 150197509
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 174744009
N-(3-methylsulfonylphenyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167199074
2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 90317246
2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167198263

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 150069297) is N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccnnc1)c1cc(C(F)(F)F)cnc1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DOXVXAMREHIIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N4O3/c19-17(20,21)10-7-14(15(29)28-11-5-6-26-27-9-11)16(25-8-10)30-12-1-3-13(4-2-12)31-18(22,23)24/h1-9H,(H,26,28,29).
What are the key properties of N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 444.29 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 150069297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).