N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide

C13H13FN4O — CID 79047301

IUPACN-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(C)cc(F)c2)nn1
InChIInChI=1S/C13H13FN4O/c1-8-5-9(14)7-10(6-8)16-13(19)11-3-4-12(15-2)18-17-11/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyFIMWTNUYKPLZLN-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.22
Rot. Bonds3

About N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide

N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 79047301) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID79047301
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC NameN-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(C)cc(F)c2)nn1
InChIInChI=1S/C13H13FN4O/c1-8-5-9(14)7-10(6-8)16-13(19)11-3-4-12(15-2)18-17-11/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyFIMWTNUYKPLZLN-UHFFFAOYSA-N
XLogP2.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 62165036
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62167720
N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62165617
N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62166760
N-(3,5-dimethoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62173292
N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109497
6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
N-(3-fluoro-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 79046553
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754
N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 82860303
N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127733

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide (CID 79047301) is N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)Nc2cc(C)cc(F)c2)nn1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is FIMWTNUYKPLZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-5-9(14)7-10(6-8)16-13(19)11-3-4-12(15-2)18-17-11/h3-7H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 79047301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).