1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide

C15H18F3N3O3 — CID 154839179

IUPAC1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C)(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1
InChIInChI=1S/C15H18F3N3O3/c1-10(22)20-7-5-14(2,8-20)13(24)19-11-4-3-6-21(12(11)23)9-15(16,17)18/h3-4,6H,5,7-9H2,1-2H3,(H,19,24)
InChIKeyHPDIEWYBROSXEL-UHFFFAOYSA-N
MW345.32 g/mol
LogP1.61
Rot. Bonds3

About 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide

1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 154839179) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID154839179
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C)(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1
InChIInChI=1S/C15H18F3N3O3/c1-10(22)20-7-5-14(2,8-20)13(24)19-11-4-3-6-21(12(11)23)9-15(16,17)18/h3-4,6H,5,7-9H2,1-2H3,(H,19,24)
InChIKeyHPDIEWYBROSXEL-UHFFFAOYSA-N
XLogP1.61
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide (CID 154839179) is 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide is CC(=O)N1CCC(C)(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1.
What is the InChIKey of 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is HPDIEWYBROSXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-10(22)20-7-5-14(2,8-20)13(24)19-11-4-3-6-21(12(11)23)9-15(16,17)18/h3-4,6H,5,7-9H2,1-2H3,(H,19,24).
What are the key properties of 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide?
1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154839179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).