1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one

C14H18F3N3O2 — CID 133492261

IUPAC1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(Nc2ccc(OC(F)(F)F)cn2)CC1=O
InChIInChI=1S/C14H18F3N3O2/c1-13(2,3)20-8-9(6-12(20)21)19-11-5-4-10(7-18-11)22-14(15,16)17/h4-5,7,9H,6,8H2,1-3H3,(H,18,19)
InChIKeyULLRLKVIHWACOQ-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.79
Rot. Bonds3

About 1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one

1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one (PubChem CID 133492261) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one
PubChem CID133492261
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(Nc2ccc(OC(F)(F)F)cn2)CC1=O
InChIInChI=1S/C14H18F3N3O2/c1-13(2,3)20-8-9(6-12(20)21)19-11-5-4-10(7-18-11)22-14(15,16)17/h4-5,7,9H,6,8H2,1-3H3,(H,18,19)
InChIKeyULLRLKVIHWACOQ-UHFFFAOYSA-N
XLogP2.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
CID 122054120
6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342318
1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one
CID 133342299
1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133342190
N-piperidin-3-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 114280857
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133493496
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
CID 110736909
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 133489078
N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide
CID 133490173
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one (CID 133492261) is 1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one is CC(C)(C)N1CC(Nc2ccc(OC(F)(F)F)cn2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one?
The InChIKey is ULLRLKVIHWACOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-13(2,3)20-8-9(6-12(20)21)19-11-5-4-10(7-18-11)22-14(15,16)17/h4-5,7,9H,6,8H2,1-3H3,(H,18,19).
What are the key properties of 1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one?
1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one has a molecular weight of 317.31 g/mol, XLogP of 2.79, 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-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133492261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).