N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

C16H18FN3O2 — CID 3420301

IUPACN-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C16H18FN3O2/c1-16(2,3)18-14(21)10-20-15(22)9-8-13(19-20)11-4-6-12(17)7-5-11/h4-9H,10H2,1-3H3,(H,18,21)
InChIKeyQSDXQMDDSHNRLV-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.96
Rot. Bonds3

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

N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3420301) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3420301
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C16H18FN3O2/c1-16(2,3)18-14(21)10-20-15(22)9-8-13(19-20)11-4-6-12(17)7-5-11/h4-9H,10H2,1-3H3,(H,18,21)
InChIKeyQSDXQMDDSHNRLV-UHFFFAOYSA-N
XLogP1.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3(2H)-one
CID 5057198
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263
N-(4-fluorobenzyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4582595
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
(Z)-N-[1-Methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-acrylamide
CID 9699567
Isamfazone
CID 68753
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3235823
N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3236319
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3237638

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 3420301) is N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is CC(C)(C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is QSDXQMDDSHNRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-16(2,3)18-14(21)10-20-15(22)9-8-13(19-20)11-4-6-12(17)7-5-11/h4-9H,10H2,1-3H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 303.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3420301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).