N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide

C15H17FN4O2 — CID 53102001

IUPACN-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)c1c(NC(=O)Cc2ccc(F)cc2)cnn(C)c1=O
InChIInChI=1S/C15H17FN4O2/c1-19(2)14-12(9-17-20(3)15(14)22)18-13(21)8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyPGYWFGDMLWGXPP-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.17
Rot. Bonds4

About N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide

N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 53102001) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID53102001
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC NameN-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)c1c(NC(=O)Cc2ccc(F)cc2)cnn(C)c1=O
InChIInChI=1S/C15H17FN4O2/c1-19(2)14-12(9-17-20(3)15(14)22)18-13(21)8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyPGYWFGDMLWGXPP-UHFFFAOYSA-N
XLogP1.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-(2-fluorophenyl)acetamide
CID 91911787
2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
CID 53012191
3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide
CID 53200748
5-[(3-chloro-4-methylphenyl)sulfonyl]-1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 53200754
N-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-propylbenzenesulfonamide
CID 53200801
N-isopropyl-N-methyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxo-1(6H)-pyridazinyl]acetamide
CID 56882582
N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxo-1(6H)-pyridazinyl]acetamide
CID 56887820
(2S)-2-amino-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-2-phenylacetamide
CID 70739974
N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1(6H)-yl)acetamide
CID 72851537
2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3(2H)-one
CID 72894175
N-[(2-Fluorophenyl)methyl]-2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91907032
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-(3-fluorophenyl)acetamide
CID 91911779

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide (CID 53102001) is N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide is CN(C)c1c(NC(=O)Cc2ccc(F)cc2)cnn(C)c1=O.
What is the InChIKey of N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is PGYWFGDMLWGXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-19(2)14-12(9-17-20(3)15(14)22)18-13(21)8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide?
N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 304.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53102001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).