N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide

C20H19FN4O — CID 113046519

IUPACN-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)Cc2ccccc2F)nn1
InChIInChI=1S/C20H19FN4O/c1-13-6-5-7-14(2)20(13)23-18-11-10-17(24-25-18)22-19(26)12-15-8-3-4-9-16(15)21/h3-11H,12H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyWAZVLAJSPXRPRM-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.16
Rot. Bonds5

About N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide

N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 113046519) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
PubChem CID113046519
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)Cc2ccccc2F)nn1
InChIInChI=1S/C20H19FN4O/c1-13-6-5-7-14(2)20(13)23-18-11-10-17(24-25-18)22-19(26)12-15-8-3-4-9-16(15)21/h3-11H,12H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyWAZVLAJSPXRPRM-UHFFFAOYSA-N
XLogP4.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017196
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113049086
N-[6-(2-cyanoanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113051142
2-(2-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039450
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017295
2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 112982033
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047929
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517
N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 107805598
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051558

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide (CID 113046519) is N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide is Cc1cccc(C)c1Nc1ccc(NC(=O)Cc2ccccc2F)nn1.
What is the InChIKey of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is WAZVLAJSPXRPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-6-5-7-14(2)20(13)23-18-11-10-17(24-25-18)22-19(26)12-15-8-3-4-9-16(15)21/h3-11H,12H2,1-2H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113046519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).