3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide

C18H12F4N4O3 — CID 167199371

IUPAC3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C18H12F4N4O3/c1-9-6-10(19)2-3-13(9)29-17-12(8-14(25-26-17)18(20,21)22)16(28)24-11-4-5-23-15(27)7-11/h2-8H,1H3,(H2,23,24,27,28)
InChIKeyVPAGDRAZKKONKJ-UHFFFAOYSA-N
MW408.31 g/mol
LogP3.68
Rot. Bonds4

About 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide

3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167199371) has the molecular formula C18H12F4N4O3 and a molecular weight of 408.31 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID167199371
Molecular FormulaC18H12F4N4O3
Molecular Weight408.31 g/mol
Exact Mass408.08
IUPAC Name3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C18H12F4N4O3/c1-9-6-10(19)2-3-13(9)29-17-12(8-14(25-26-17)18(20,21)22)16(28)24-11-4-5-23-15(27)7-11/h2-8H,1H3,(H2,23,24,27,28)
InChIKeyVPAGDRAZKKONKJ-UHFFFAOYSA-N
XLogP3.68
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167199371) is 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1.
What is the InChIKey of 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is VPAGDRAZKKONKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O3/c1-9-6-10(19)2-3-13(9)29-17-12(8-14(25-26-17)18(20,21)22)16(28)24-11-4-5-23-15(27)7-11/h2-8H,1H3,(H2,23,24,27,28).
What are the key properties of 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 408.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167199371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).