1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one

C18H21FN4O — CID 133342190

IUPAC1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(Nc2ccc(-c3ccc(F)cc3)nn2)CC1=O
InChIInChI=1S/C18H21FN4O/c1-18(2,3)23-11-14(10-17(23)24)20-16-9-8-15(21-22-16)12-4-6-13(19)7-5-12/h4-9,14H,10-11H2,1-3H3,(H,20,22)
InChIKeyMAKLLCJCHKIAKV-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.09
Rot. Bonds3

About 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one

1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one (PubChem CID 133342190) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
PubChem CID133342190
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(Nc2ccc(-c3ccc(F)cc3)nn2)CC1=O
InChIInChI=1S/C18H21FN4O/c1-18(2,3)23-11-14(10-17(23)24)20-16-9-8-15(21-22-16)12-4-6-13(19)7-5-12/h4-9,14H,10-11H2,1-3H3,(H,20,22)
InChIKeyMAKLLCJCHKIAKV-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133357482
1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133492261
N-(1-cyclopentylpyrrolidin-3-yl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133292234
1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one
CID 133342299
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342318
5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
CID 122054120
N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133473519
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133399616
tert-butyl (3aR,6aS)-5-[[6-(4-acetamidophenyl)pyridazin-3-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 156511275
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
CID 110736909
4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one
CID 133342194

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one (CID 133342190) is 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one is CC(C)(C)N1CC(Nc2ccc(-c3ccc(F)cc3)nn2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The InChIKey is MAKLLCJCHKIAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-18(2,3)23-11-14(10-17(23)24)20-16-9-8-15(21-22-16)12-4-6-13(19)7-5-12/h4-9,14H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one has a molecular weight of 328.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133342190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).