6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide

C13H12BrFN4O — CID 133342969

IUPAC6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ccc(Br)c(F)c2)nn1
InChIInChI=1S/C13H12BrFN4O/c1-16-13(20)11-4-5-12(19-18-11)17-7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3,(H,16,20)(H,17,19)
InChIKeyCTHJFCRRMQCETG-UHFFFAOYSA-N
MW339.17 g/mol
LogP2.35
Rot. Bonds4

About 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide

6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133342969) has the molecular formula C13H12BrFN4O and a molecular weight of 339.17 g/mol. Its IUPAC name is 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133342969
Molecular FormulaC13H12BrFN4O
Molecular Weight339.17 g/mol
Exact Mass338.02
IUPAC Name6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ccc(Br)c(F)c2)nn1
InChIInChI=1S/C13H12BrFN4O/c1-16-13(20)11-4-5-12(19-18-11)17-7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3,(H,16,20)(H,17,19)
InChIKeyCTHJFCRRMQCETG-UHFFFAOYSA-N
XLogP2.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133329611
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
N-methyl-6-(naphthalen-2-ylmethylamino)pyridazine-3-carboxamide
CID 133328883
N-methyl-6-[(4-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211637
N-methyl-6-[(4-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133343379
N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide
CID 133397231
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304263
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119838
2-[2-[(4-bromo-3-fluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 81432064
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide (CID 133342969) is 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCc2ccc(Br)c(F)c2)nn1.
What is the InChIKey of 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is CTHJFCRRMQCETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4O/c1-16-13(20)11-4-5-12(19-18-11)17-7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide?
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 339.17 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133342969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).