N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C15H18F3N3O3 — CID 42956900

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O3/c1-2-24-14-10(4-3-5-19-14)7-20-13(23)11-6-12(22)21(8-11)9-15(16,17)18/h3-5,11H,2,6-9H2,1H3,(H,20,23)
InChIKeyKCTQPWOYPCEGGP-UHFFFAOYSA-N
MW345.32 g/mol
LogP1.51
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 42956900) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID42956900
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O3/c1-2-24-14-10(4-3-5-19-14)7-20-13(23)11-6-12(22)21(8-11)9-15(16,17)18/h3-5,11H,2,6-9H2,1H3,(H,20,23)
InChIKeyKCTQPWOYPCEGGP-UHFFFAOYSA-N
XLogP1.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 42956900) is N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCOc1ncccc1CNC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is KCTQPWOYPCEGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-2-24-14-10(4-3-5-19-14)7-20-13(23)11-6-12(22)21(8-11)9-15(16,17)18/h3-5,11H,2,6-9H2,1H3,(H,20,23).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42956900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).