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

C13H11F2N3O4 — CID 138595893

IUPACN-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide
SMILESCn1ncc(O)c(C(=O)Nc2ccc(OC(F)F)cc2)c1=O
InChIInChI=1S/C13H11F2N3O4/c1-18-12(21)10(9(19)6-16-18)11(20)17-7-2-4-8(5-3-7)22-13(14)15/h2-6,13,19H,1H3,(H,17,20)
InChIKeyFRYKIKFIMNGBSM-UHFFFAOYSA-N
MW311.24 g/mol
LogP1.34
Rot. Bonds4

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

N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 138595893) has the molecular formula C13H11F2N3O4 and a molecular weight of 311.24 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide
PubChem CID138595893
Molecular FormulaC13H11F2N3O4
Molecular Weight311.24 g/mol
Exact Mass311.07
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide
SMILESCn1ncc(O)c(C(=O)Nc2ccc(OC(F)F)cc2)c1=O
InChIInChI=1S/C13H11F2N3O4/c1-18-12(21)10(9(19)6-16-18)11(20)17-7-2-4-8(5-3-7)22-13(14)15/h2-6,13,19H,1H3,(H,17,20)
InChIKeyFRYKIKFIMNGBSM-UHFFFAOYSA-N
XLogP1.34
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330375
5-[[4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494265
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
N-[4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 2447949
3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471272
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62953190
6-chloro-N-[4-(difluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 103186812
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N-[4-(difluoromethoxy)phenyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 18102127
6-amino-N-[4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62154747

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide (CID 138595893) is N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide is Cn1ncc(O)c(C(=O)Nc2ccc(OC(F)F)cc2)c1=O.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide?
The InChIKey is FRYKIKFIMNGBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O4/c1-18-12(21)10(9(19)6-16-18)11(20)17-7-2-4-8(5-3-7)22-13(14)15/h2-6,13,19H,1H3,(H,17,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 311.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-hydroxy-2-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 138595893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).