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

C19H14F4N4O3 — CID 167198461

IUPAC3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1C
InChIInChI=1S/C19H14F4N4O3/c1-9-7-11(20)3-4-14(9)30-18-12(8-15(26-27-18)19(21,22)23)17(29)25-13-5-6-24-16(28)10(13)2/h3-8H,1-2H3,(H2,24,25,28,29)
InChIKeyZLQRASYIPPGTHS-UHFFFAOYSA-N
MW422.34 g/mol
LogP3.98
Rot. Bonds4

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

3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167198461) has the molecular formula C19H14F4N4O3 and a molecular weight of 422.34 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID167198461
Molecular FormulaC19H14F4N4O3
Molecular Weight422.34 g/mol
Exact Mass422.10
IUPAC Name3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1C
InChIInChI=1S/C19H14F4N4O3/c1-9-7-11(20)3-4-14(9)30-18-12(8-15(26-27-18)19(21,22)23)17(29)25-13-5-6-24-16(28)10(13)2/h3-8H,1-2H3,(H2,24,25,28,29)
InChIKeyZLQRASYIPPGTHS-UHFFFAOYSA-N
XLogP3.98
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 53.98
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-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167198461) is 3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-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)c1C.
What is the InChIKey of 3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is ZLQRASYIPPGTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O3/c1-9-7-11(20)3-4-14(9)30-18-12(8-15(26-27-18)19(21,22)23)17(29)25-13-5-6-24-16(28)10(13)2/h3-8H,1-2H3,(H2,24,25,28,29).
What are the key properties of 3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 422.34 g/mol, XLogP of 3.98, 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-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167198461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).