N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C13H11F2N3O3 — CID 7941086

IUPACN-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1=O
InChIInChI=1S/C13H11F2N3O3/c1-18-11(19)7-6-10(17-18)12(20)16-8-2-4-9(5-3-8)21-13(14)15/h2-7,13H,1H3,(H,16,20)
InChIKeyXUOBDBLLPMNTNC-UHFFFAOYSA-N
MW295.25 g/mol
LogP1.63
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 7941086) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID7941086
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1=O
InChIInChI=1S/C13H11F2N3O3/c1-18-11(19)7-6-10(17-18)12(20)16-8-2-4-9(5-3-8)21-13(14)15/h2-7,13H,1H3,(H,16,20)
InChIKeyXUOBDBLLPMNTNC-UHFFFAOYSA-N
XLogP1.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26901420
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51201885
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330375
2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952
5-[[4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494265
N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 47028819
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62953190
N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide
CID 138595893

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 7941086) is N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1=O.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is XUOBDBLLPMNTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-18-11(19)7-6-10(17-18)12(20)16-8-2-4-9(5-3-8)21-13(14)15/h2-7,13H,1H3,(H,16,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 295.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 7941086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).