1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide

C14H13F2N3O4 — CID 58072502

IUPAC1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide
SMILESCONC(=O)c1nn(-c2ccccc2OC(F)F)cc(C)c1=O
InChIInChI=1S/C14H13F2N3O4/c1-8-7-19(17-11(12(8)20)13(21)18-22-2)9-5-3-4-6-10(9)23-14(15)16/h3-7,14H,1-2H3,(H,18,21)
InChIKeyNMBNUHBUGSQBNT-UHFFFAOYSA-N
MW325.27 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide

1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 58072502) has the molecular formula C14H13F2N3O4 and a molecular weight of 325.27 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide
PubChem CID58072502
Molecular FormulaC14H13F2N3O4
Molecular Weight325.27 g/mol
Exact Mass325.09
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide
SMILESCONC(=O)c1nn(-c2ccccc2OC(F)F)cc(C)c1=O
InChIInChI=1S/C14H13F2N3O4/c1-8-7-19(17-11(12(8)20)13(21)18-22-2)9-5-3-4-6-10(9)23-14(15)16/h3-7,14H,1-2H3,(H,18,21)
InChIKeyNMBNUHBUGSQBNT-UHFFFAOYSA-N
XLogP1.43
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-[2-(difluoromethoxy)phenyl]-5-methylpyridazin-4-one
CID 148837910
1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide
CID 59436241
1-[2-(difluoromethoxy)phenyl]-3-[(E)-2-methyl-3-(methylamino)prop-2-enoyl]pyridazin-4-one
CID 126486232
1-[2-(difluoromethoxy)phenyl]-3-[3-(methylamino)prop-2-enoyl]pyridazin-4-one;methane
CID 159209906
methyl 1-(3-bromo-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 107627497
ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate
CID 155342529
methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 63953612
1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
2-[2-(difluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyrazole
CID 135621757
2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346092
N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 75371935
1-(4-fluoro-2-iodophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 79771802

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide (CID 58072502) is 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide is CONC(=O)c1nn(-c2ccccc2OC(F)F)cc(C)c1=O.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is NMBNUHBUGSQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O4/c1-8-7-19(17-11(12(8)20)13(21)18-22-2)9-5-3-4-6-10(9)23-14(15)16/h3-7,14H,1-2H3,(H,18,21).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide?
1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 325.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 58072502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).