N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide

C16H20FN5O — CID 113039942

IUPACN-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)CCNc1ccc(NC(=O)Cc2cccc(F)c2)nn1
InChIInChI=1S/C16H20FN5O/c1-22(2)9-8-18-14-6-7-15(21-20-14)19-16(23)11-12-4-3-5-13(17)10-12/h3-7,10H,8-9,11H2,1-2H3,(H,18,20)(H,19,21,23)
InChIKeyMCKOUCNZMIULNW-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.77
Rot. Bonds7

About N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide

N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 113039942) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
PubChem CID113039942
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC NameN-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)CCNc1ccc(NC(=O)Cc2cccc(F)c2)nn1
InChIInChI=1S/C16H20FN5O/c1-22(2)9-8-18-14-6-7-15(21-20-14)19-16(23)11-12-4-3-5-13(17)10-12/h3-7,10H,8-9,11H2,1-2H3,(H,18,20)(H,19,21,23)
InChIKeyMCKOUCNZMIULNW-UHFFFAOYSA-N
XLogP1.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039952
2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039451
2-(3-fluorophenyl)-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041483
2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039920
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039881
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,3-diphenylpropanamide
CID 113039915
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113053567
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113038874
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113040148
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
2-(3-fluorophenyl)-N-[5-(N-methylanilino)-2-pyridinyl]acetamide
CID 113031689
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide (CID 113039942) is N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide is CN(C)CCNc1ccc(NC(=O)Cc2cccc(F)c2)nn1.
What is the InChIKey of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is MCKOUCNZMIULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-22(2)9-8-18-14-6-7-15(21-20-14)19-16(23)11-12-4-3-5-13(17)10-12/h3-7,10H,8-9,11H2,1-2H3,(H,18,20)(H,19,21,23).
What are the key properties of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 317.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113039942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).