N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide

C15H16F3N3O3 — CID 38259393

IUPACN,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H16F3N3O3/c1-20(14(23)11-7-8-13(22)21(2)19-11)9-10-5-3-4-6-12(10)24-15(16,17)18/h3-6H,7-9H2,1-2H3
InChIKeyZGDWXMALBMLTMX-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.15
Rot. Bonds4

About N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide

N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 38259393) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID38259393
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H16F3N3O3/c1-20(14(23)11-7-8-13(22)21(2)19-11)9-10-5-3-4-6-12(10)24-15(16,17)18/h3-6H,7-9H2,1-2H3
InChIKeyZGDWXMALBMLTMX-UHFFFAOYSA-N
XLogP2.15
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575
N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31152937
N-methyl-4-oxo-3-propyl-N-[[2-(trifluoromethoxy)phenyl]methyl]phthalazine-1-carboxamide
CID 38075683
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
N,5,7-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 38076546
2-(2-methoxyethoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55997231
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide
CID 166226587

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide (CID 38259393) is N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ZGDWXMALBMLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-20(14(23)11-7-8-13(22)21(2)19-11)9-10-5-3-4-6-12(10)24-15(16,17)18/h3-6H,7-9H2,1-2H3.
What are the key properties of N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 38259393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).