1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide

C16H20F3N3O3 — CID 55794507

IUPAC1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C16H20F3N3O3/c1-15(2,3)14(25)22-6-4-5-11(22)13(24)21-10-7-9(16(17,18)19)8-20-12(10)23/h7-8,11H,4-6H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyGBSCXLWOUQOHJO-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.37
Rot. Bonds2

About 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 55794507) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
PubChem CID55794507
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C16H20F3N3O3/c1-15(2,3)14(25)22-6-4-5-11(22)13(24)21-10-7-9(16(17,18)19)8-20-12(10)23/h7-8,11H,4-6H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyGBSCXLWOUQOHJO-UHFFFAOYSA-N
XLogP2.37
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide (CID 55794507) is 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is GBSCXLWOUQOHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-15(2,3)14(25)22-6-4-5-11(22)13(24)21-10-7-9(16(17,18)19)8-20-12(10)23/h7-8,11H,4-6H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55794507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).