N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide

C12H11FN4O — CID 113047134

IUPACN-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C12H11FN4O/c1-8(18)14-11-6-7-12(17-16-11)15-10-5-3-2-4-9(10)13/h2-7H,1H3,(H,15,17)(H,14,16,18)
InChIKeyIOLFULGLGSCSCO-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.32
Rot. Bonds3

About N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide

N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide (PubChem CID 113047134) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
PubChem CID113047134
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC NameN-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C12H11FN4O/c1-8(18)14-11-6-7-12(17-16-11)15-10-5-3-2-4-9(10)13/h2-7H,1H3,(H,15,17)(H,14,16,18)
InChIKeyIOLFULGLGSCSCO-UHFFFAOYSA-N
XLogP2.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide
CID 113047175
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113047158
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347
N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128356
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128353
N-(2-fluorophenyl)-6-phenylpyridazin-3-amine
CID 110273579
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide (CID 113047134) is N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide is CC(=O)Nc1ccc(Nc2ccccc2F)nn1.
What is the InChIKey of N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide?
The InChIKey is IOLFULGLGSCSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-8(18)14-11-6-7-12(17-16-11)15-10-5-3-2-4-9(10)13/h2-7H,1H3,(H,15,17)(H,14,16,18).
What are the key properties of N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide?
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide has a molecular weight of 246.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113047134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).