N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide

C20H17F3N4O3 — CID 155090769

IUPACN-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C20H17F3N4O3/c1-12(11-28)25-18(29)15-9-17(16-8-7-13(10-24-16)20(21,22)23)26-27(19(15)30)14-5-3-2-4-6-14/h2-10,12,28H,11H2,1H3,(H,25,29)
InChIKeyMTEJKZCFGDRECJ-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.42
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide

N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide (PubChem CID 155090769) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide
PubChem CID155090769
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC NameN-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C20H17F3N4O3/c1-12(11-28)25-18(29)15-9-17(16-8-7-13(10-24-16)20(21,22)23)26-27(19(15)30)14-5-3-2-4-6-14/h2-10,12,28H,11H2,1H3,(H,25,29)
InChIKeyMTEJKZCFGDRECJ-UHFFFAOYSA-N
XLogP2.42
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide (CID 155090769) is N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide is CC(CO)NC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)nn(-c2ccccc2)c1=O.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide?
The InChIKey is MTEJKZCFGDRECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-12(11-28)25-18(29)15-9-17(16-8-7-13(10-24-16)20(21,22)23)26-27(19(15)30)14-5-3-2-4-6-14/h2-10,12,28H,11H2,1H3,(H,25,29).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide?
N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide is sourced from PubChem (CID 155090769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).