2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide

C16H17FN4O2 — CID 71870935

IUPAC2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
SMILESCn1nc2c(cc1=O)CN(C(C(N)=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C16H17FN4O2/c1-20-14(22)8-11-9-21(7-6-13(11)19-20)15(16(18)23)10-2-4-12(17)5-3-10/h2-5,8,15H,6-7,9H2,1H3,(H2,18,23)
InChIKeyFOEMLCFUTBRFIW-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.50
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide

2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide (PubChem CID 71870935) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
PubChem CID71870935
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
SMILESCn1nc2c(cc1=O)CN(C(C(N)=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C16H17FN4O2/c1-20-14(22)8-11-9-21(7-6-13(11)19-20)15(16(18)23)10-2-4-12(17)5-3-10/h2-5,8,15H,6-7,9H2,1H3,(H2,18,23)
InChIKeyFOEMLCFUTBRFIW-UHFFFAOYSA-N
XLogP0.50
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide (CID 71870935) is 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide is Cn1nc2c(cc1=O)CN(C(C(N)=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
The InChIKey is FOEMLCFUTBRFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-20-14(22)8-11-9-21(7-6-13(11)19-20)15(16(18)23)10-2-4-12(17)5-3-10/h2-5,8,15H,6-7,9H2,1H3,(H2,18,23).
What are the key properties of 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide is sourced from PubChem (CID 71870935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).