2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide

C15H15F3N4O2 — CID 71466636

IUPAC2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)C(=O)CC1
InChIInChI=1S/C15H15F3N4O2/c1-10-2-7-14(24)22(21-10)9-13(23)20-19-8-11-3-5-12(6-4-11)15(16,17)18/h3-6,8H,2,7,9H2,1H3,(H,20,23)/b19-8+
InChIKeyDNOWGZBCRFUUSW-UFWORHAWSA-N
MW340.31 g/mol
LogP2.15
Rot. Bonds4

About 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 71466636) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID71466636
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)C(=O)CC1
InChIInChI=1S/C15H15F3N4O2/c1-10-2-7-14(24)22(21-10)9-13(23)20-19-8-11-3-5-12(6-4-11)15(16,17)18/h3-6,8H,2,7,9H2,1H3,(H,20,23)/b19-8+
InChIKeyDNOWGZBCRFUUSW-UFWORHAWSA-N
XLogP2.15
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968344
N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968349
(2S)-5-oxo-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrrolidine-2-carboxamide
CID 156011411
(2S)-N-[(E)-(4-methylphenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
CID 156020549
(2S)-N-[(E)-(2,5-difluorophenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
CID 156021046
N-[(E)-(4-bromophenyl)methyleneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71466626
N-[(E)-(4-fluorophenyl)methyleneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71466629
N-[(E)-(4-chlorophenyl)methyleneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71597661
N-(2-oxo-2-piperidin-1-ylethyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 168307510
3-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}propanehydrazide
CID 5347114
N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 46495519
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-p-tolylmethyleneamino]acetamide
CID 71597541

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 71466636) is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is CC1=NN(CC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)C(=O)CC1.
What is the InChIKey of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is DNOWGZBCRFUUSW-UFWORHAWSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-10-2-7-14(24)22(21-10)9-13(23)20-19-8-11-3-5-12(6-4-11)15(16,17)18/h3-6,8H,2,7,9H2,1H3,(H,20,23)/b19-8+.
What are the key properties of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 340.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 71466636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).