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

C19H15F3N4O2 — CID 25333423

IUPAC6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)nc1
InChIInChI=1S/C19H15F3N4O2/c1-11-7-8-16(23-10-11)24-18(28)17-15(27)9-12(2)26(25-17)14-6-4-3-5-13(14)19(20,21)22/h3-10H,1-2H3,(H,23,24,28)
InChIKeyVXOIQUFNPYMZKI-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.52
Rot. Bonds3

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

6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 25333423) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID25333423
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)nc1
InChIInChI=1S/C19H15F3N4O2/c1-11-7-8-16(23-10-11)24-18(28)17-15(27)9-12(2)26(25-17)14-6-4-3-5-13(14)19(20,21)22/h3-10H,1-2H3,(H,23,24,28)
InChIKeyVXOIQUFNPYMZKI-UHFFFAOYSA-N
XLogP3.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 25333423) is 6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)nc1.
What is the InChIKey of 6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is VXOIQUFNPYMZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-11-7-8-16(23-10-11)24-18(28)17-15(27)9-12(2)26(25-17)14-6-4-3-5-13(14)19(20,21)22/h3-10H,1-2H3,(H,23,24,28).
What are the key properties of 6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 25333423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).