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

C20H15F3N4O3 — CID 60606233

IUPACN-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2C(N)=O)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N4O3/c1-11-10-16(28)17(19(30)25-14-8-4-2-6-12(14)18(24)29)26-27(11)15-9-5-3-7-13(15)20(21,22)23/h2-10H,1H3,(H2,24,29)(H,25,30)
InChIKeyANPALSSLNXGJRU-UHFFFAOYSA-N
MW416.36 g/mol
LogP2.91
Rot. Bonds4

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

N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 60606233) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID60606233
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC NameN-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2C(N)=O)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N4O3/c1-11-10-16(28)17(19(30)25-14-8-4-2-6-12(14)18(24)29)26-27(11)15-9-5-3-7-13(15)20(21,22)23/h2-10H,1H3,(H2,24,29)(H,25,30)
InChIKeyANPALSSLNXGJRU-UHFFFAOYSA-N
XLogP2.91
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 60606233) is N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2C(N)=O)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is ANPALSSLNXGJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c1-11-10-16(28)17(19(30)25-14-8-4-2-6-12(14)18(24)29)26-27(11)15-9-5-3-7-13(15)20(21,22)23/h2-10H,1H3,(H2,24,29)(H,25,30).
What are the key properties of N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 60606233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).