1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide

C18H13F2N3O3 — CID 1481276

IUPAC1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C18H13F2N3O3/c1-26-16-5-3-2-4-14(16)21-18(25)17-15(24)8-9-23(22-17)11-6-7-12(19)13(20)10-11/h2-10H,1H3,(H,21,25)
InChIKeyDILJQNJZIUFMNL-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.77
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide

1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 1481276) has the molecular formula C18H13F2N3O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID1481276
Molecular FormulaC18H13F2N3O3
Molecular Weight357.32 g/mol
Exact Mass357.09
IUPAC Name1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C18H13F2N3O3/c1-26-16-5-3-2-4-14(16)21-18(25)17-15(24)8-9-23(22-17)11-6-7-12(19)13(20)10-11/h2-10H,1H3,(H,21,25)
InChIKeyDILJQNJZIUFMNL-UHFFFAOYSA-N
XLogP2.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693958
6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide
CID 23963431
1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 155810474
1-(3,4-difluorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55771564
1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057618
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38484159
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157656
1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
N-(2-ethoxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24624365
1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 91885801

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide (CID 1481276) is 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide is COc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)ccc1=O.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is DILJQNJZIUFMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3/c1-26-16-5-3-2-4-14(16)21-18(25)17-15(24)8-9-23(22-17)11-6-7-12(19)13(20)10-11/h2-10H,1H3,(H,21,25).
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 357.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 1481276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).