N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C19H15F3N4O5 — CID 55437844

IUPACN-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2ccco2)CC(F)(F)F)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H15F3N4O5/c1-12-9-16(27)17(23-25(12)14-6-2-3-7-15(14)26(29)30)18(28)24(11-19(20,21)22)10-13-5-4-8-31-13/h2-9H,10-11H2,1H3
InChIKeyPORWEXDGMFLPJV-UHFFFAOYSA-N
MW436.35 g/mol
LogP3.25
Rot. Bonds6

About N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 55437844) has the molecular formula C19H15F3N4O5 and a molecular weight of 436.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID55437844
Molecular FormulaC19H15F3N4O5
Molecular Weight436.35 g/mol
Exact Mass436.10
IUPAC NameN-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2ccco2)CC(F)(F)F)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H15F3N4O5/c1-12-9-16(27)17(23-25(12)14-6-2-3-7-15(14)26(29)30)18(28)24(11-19(20,21)22)10-13-5-4-8-31-13/h2-9H,10-11H2,1H3
InChIKeyPORWEXDGMFLPJV-UHFFFAOYSA-N
XLogP3.25
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-(2-hydroxyethyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 78855799
N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 30399981
N-[(4-ethylphenyl)methyl]-N,6-dimethyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 46628189
N,6-dimethyl-N-(4-methylphenyl)-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60622001
6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
CID 27256280
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide
CID 18100629
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 8533427
6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)pyridazine-3-carboxamide
CID 27770339
6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
CID 120831378
N-(furan-2-ylmethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8867854
6-methyl-N-[(2-nitrophenyl)methyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55798724
N-[4-(dimethylcarbamoyl)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 34546766

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 55437844) is N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(Cc2ccco2)CC(F)(F)F)nn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is PORWEXDGMFLPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O5/c1-12-9-16(27)17(23-25(12)14-6-2-3-7-15(14)26(29)30)18(28)24(11-19(20,21)22)10-13-5-4-8-31-13/h2-9H,10-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 436.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55437844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).