6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide

C18H15FN4O2 — CID 109128356

IUPAC6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccccc3F)nn2)cc1
InChIInChI=1S/C18H15FN4O2/c1-25-13-8-6-12(7-9-13)20-18(24)16-10-11-17(23-22-16)21-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,20,24)(H,21,23)
InChIKeyKFPNTAWPBXDQMT-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.62
Rot. Bonds5

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

6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109128356) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
PubChem CID109128356
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccccc3F)nn2)cc1
InChIInChI=1S/C18H15FN4O2/c1-25-13-8-6-12(7-9-13)20-18(24)16-10-11-17(23-22-16)21-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,20,24)(H,21,23)
InChIKeyKFPNTAWPBXDQMT-UHFFFAOYSA-N
XLogP3.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128353
N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128394
6-(2,4-dichloroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129412
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
6-(4-ethoxyanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128416
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide (CID 109128356) is 6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccccc3F)nn2)cc1.
What is the InChIKey of 6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is KFPNTAWPBXDQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-13-8-6-12(7-9-13)20-18(24)16-10-11-17(23-22-16)21-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,20,24)(H,21,23).
What are the key properties of 6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).