N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide

C20H17F3N4O2 — CID 56951327

IUPACN-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccnn3)cnc2OCC(F)(F)F)cc1
InChIInChI=1S/C20H17F3N4O2/c1-2-13-5-7-14(8-6-13)16-10-15(11-24-19(16)29-12-20(21,22)23)26-18(28)17-4-3-9-25-27-17/h3-11H,2,12H2,1H3,(H,26,28)
InChIKeyXEBQOEITSCUVOG-UHFFFAOYSA-N
MW402.38 g/mol
LogP4.29
Rot. Bonds6

About N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide

N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide (PubChem CID 56951327) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide
PubChem CID56951327
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC NameN-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccnn3)cnc2OCC(F)(F)F)cc1
InChIInChI=1S/C20H17F3N4O2/c1-2-13-5-7-14(8-6-13)16-10-15(11-24-19(16)29-12-20(21,22)23)26-18(28)17-4-3-9-25-27-17/h3-11H,2,12H2,1H3,(H,26,28)
InChIKeyXEBQOEITSCUVOG-UHFFFAOYSA-N
XLogP4.29
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide?
The IUPAC name of N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide (CID 56951327) is N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide is CCc1ccc(-c2cc(NC(=O)c3cccnn3)cnc2OCC(F)(F)F)cc1.
What is the InChIKey of N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide?
The InChIKey is XEBQOEITSCUVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-2-13-5-7-14(8-6-13)16-10-15(11-24-19(16)29-12-20(21,22)23)26-18(28)17-4-3-9-25-27-17/h3-11H,2,12H2,1H3,(H,26,28).
What are the key properties of N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide?
N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide has a molecular weight of 402.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide is sourced from PubChem (CID 56951327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).