N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

C18H16FN5O2 — CID 121051596

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cc(C)nc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)n1
InChIInChI=1S/C18H16FN5O2/c1-11-9-12(2)21-18(20-11)22-16(25)10-24-17(26)8-7-15(23-24)13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H,20,21,22,25)
InChIKeyAWRKSYXFOZFHGS-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.09
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121051596) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121051596
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cc(C)nc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)n1
InChIInChI=1S/C18H16FN5O2/c1-11-9-12(2)21-18(20-11)22-16(25)10-24-17(26)8-7-15(23-24)13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H,20,21,22,25)
InChIKeyAWRKSYXFOZFHGS-UHFFFAOYSA-N
XLogP2.09
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050559
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7664543
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051851
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027512
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-(2,6-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 43816144
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
ethyl 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7664475
N-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858983
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 121051596) is N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is Cc1cc(C)nc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is AWRKSYXFOZFHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-11-9-12(2)21-18(20-11)22-16(25)10-24-17(26)8-7-15(23-24)13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H,20,21,22,25).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 353.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121051596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).