6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide

C18H15FN4O — CID 109127276

IUPAC6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2cccc(F)c2)nn1)c1ccccc1
InChIInChI=1S/C18H15FN4O/c1-23(15-8-3-2-4-9-15)18(24)16-10-11-17(22-21-16)20-14-7-5-6-13(19)12-14/h2-12H,1H3,(H,20,22)
InChIKeyGPHNULXONOGIHF-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.64
Rot. Bonds4

About 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide

6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide (PubChem CID 109127276) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
PubChem CID109127276
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2cccc(F)c2)nn1)c1ccccc1
InChIInChI=1S/C18H15FN4O/c1-23(15-8-3-2-4-9-15)18(24)16-10-11-17(22-21-16)20-14-7-5-6-13(19)12-14/h2-12H,1H3,(H,20,22)
InChIKeyGPHNULXONOGIHF-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109128102
6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127277
6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114048
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127280
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130088
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109119784
6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848573
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127291
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide (CID 109127276) is 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide is CN(C(=O)c1ccc(Nc2cccc(F)c2)nn1)c1ccccc1.
What is the InChIKey of 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
The InChIKey is GPHNULXONOGIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-23(15-8-3-2-4-9-15)18(24)16-10-11-17(22-21-16)20-14-7-5-6-13(19)12-14/h2-12H,1H3,(H,20,22).
What are the key properties of 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109127276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).