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

C15H15F2N3O4 — CID 59436241

IUPAC1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide
SMILESCOc1cn(-c2ccccc2OC(F)F)nc(C(=O)N(C)C)c1=O
InChIInChI=1S/C15H15F2N3O4/c1-19(2)14(22)12-13(21)11(23-3)8-20(18-12)9-6-4-5-7-10(9)24-15(16)17/h4-8,15H,1-3H3
InChIKeyBYJNMTZFLWICGE-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.54
Rot. Bonds5

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

1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide (PubChem CID 59436241) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide
PubChem CID59436241
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide
SMILESCOc1cn(-c2ccccc2OC(F)F)nc(C(=O)N(C)C)c1=O
InChIInChI=1S/C15H15F2N3O4/c1-19(2)14(22)12-13(21)11(23-3)8-20(18-12)9-6-4-5-7-10(9)24-15(16)17/h4-8,15H,1-3H3
InChIKeyBYJNMTZFLWICGE-UHFFFAOYSA-N
XLogP1.54
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide
CID 58072502
1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N,5-dimethoxy-N-methyl-4-oxopyridazine-3-carboxamide
CID 86643933
1-(3-bromo-2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid
CID 59436190
1-[2-(difluoromethoxy)phenyl]-3-[3-(methylamino)prop-2-enoyl]pyridazin-4-one;methane
CID 159209906
1-[2-(difluoromethoxy)phenyl]-3-[(E)-2-methyl-3-(methylamino)prop-2-enoyl]pyridazin-4-one
CID 126486232
3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-[2-(difluoromethoxy)phenyl]-5-methylpyridazin-4-one
CID 148837910
1-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-methoxypyridazin-4-one
CID 59436220
3-acetyl-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methoxypyridazin-4-one
CID 59436283
2-[2-(difluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyrazole
CID 135621757
1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 129234805
1-[4-(3,4-difluoropyrrol-1-yl)-2-phenylmethoxyphenyl]-3-[3-(dimethylamino)prop-2-enoyl]-5-methoxypyridazin-4-one
CID 71272472

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide (CID 59436241) is 1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide is COc1cn(-c2ccccc2OC(F)F)nc(C(=O)N(C)C)c1=O.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide?
The InChIKey is BYJNMTZFLWICGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c1-19(2)14(22)12-13(21)11(23-3)8-20(18-12)9-6-4-5-7-10(9)24-15(16)17/h4-8,15H,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide?
1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide has a molecular weight of 339.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-5-methoxy-N,N-dimethyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 59436241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).