6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide

C21H20FN5O2 — CID 109128495

IUPAC6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C21H20FN5O2/c22-15-5-7-16(8-6-15)23-20-10-9-18(25-26-20)21(28)24-17-3-1-2-4-19(17)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,23,26)(H,24,28)
InChIKeyUFXHMOGQFHGRGB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.45
Rot. Bonds5

About 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide

6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109128495) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
PubChem CID109128495
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C21H20FN5O2/c22-15-5-7-16(8-6-15)23-20-10-9-18(25-26-20)21(28)24-17-3-1-2-4-19(17)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,23,26)(H,24,28)
InChIKeyUFXHMOGQFHGRGB-UHFFFAOYSA-N
XLogP3.45
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109126611
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
6-(2-morpholin-4-ylanilino)-N-propylpyridazine-3-carboxamide
CID 109109357
N-cyclopentyl-6-(2-morpholin-4-ylanilino)pyridazine-3-carboxamide
CID 109112411
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508
5-(tert-butylamino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109195247
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
6-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109124354
5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110299569
6-(N-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109127197
6-fluoro-N-(2-morpholin-4-ylphenyl)-1H-indole-3-carboxamide
CID 113206299
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide (CID 109128495) is 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc(Nc2ccc(F)cc2)nn1.
What is the InChIKey of 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is UFXHMOGQFHGRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-15-5-7-16(8-6-15)23-20-10-9-18(25-26-20)21(28)24-17-3-1-2-4-19(17)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,23,26)(H,24,28).
What are the key properties of 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide?
6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).