N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide

C18H19FN4O3 — CID 17460791

IUPACN-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCc1n[nH]c(=O)c2c(NC(=O)CN(C)Cc3cccc(F)c3)oc(C)c12
InChIInChI=1S/C18H19FN4O3/c1-10-15-11(2)26-18(16(15)17(25)22-21-10)20-14(24)9-23(3)8-12-5-4-6-13(19)7-12/h4-7H,8-9H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyOENKGCZAPDTIFI-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.34
Rot. Bonds5

About N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide

N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 17460791) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
PubChem CID17460791
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC NameN-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCc1n[nH]c(=O)c2c(NC(=O)CN(C)Cc3cccc(F)c3)oc(C)c12
InChIInChI=1S/C18H19FN4O3/c1-10-15-11(2)26-18(16(15)17(25)22-21-10)20-14(24)9-23(3)8-12-5-4-6-13(19)7-12/h4-7H,8-9H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyOENKGCZAPDTIFI-UHFFFAOYSA-N
XLogP2.34
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide with MolForge

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide
CID 42920142
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(5-chloro-2-pyridinyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86908832
N-(2,3-dichlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 2574151
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 8961830
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
N-(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18124279

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide (CID 17460791) is N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide is Cc1n[nH]c(=O)c2c(NC(=O)CN(C)Cc3cccc(F)c3)oc(C)c12.
What is the InChIKey of N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is OENKGCZAPDTIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-10-15-11(2)26-18(16(15)17(25)22-21-10)20-14(24)9-23(3)8-12-5-4-6-13(19)7-12/h4-7H,8-9H2,1-3H3,(H,20,24)(H,22,25).
What are the key properties of N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 358.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 17460791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).