(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C14H16F3N3O3 — CID 34955432

IUPAC(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H16F3N3O3/c1-2-23-13-10(4-3-5-18-13)19-12(22)9-6-11(21)20(7-9)8-14(15,16)17/h3-5,9H,2,6-8H2,1H3,(H,19,22)/t9-/m1/s1
InChIKeyFXZGBURBRXWDSS-SECBINFHSA-N
MW331.29 g/mol
LogP1.83
Rot. Bonds5

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

(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 34955432) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is (3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID34955432
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H16F3N3O3/c1-2-23-13-10(4-3-5-18-13)19-12(22)9-6-11(21)20(7-9)8-14(15,16)17/h3-5,9H,2,6-8H2,1H3,(H,19,22)/t9-/m1/s1
InChIKeyFXZGBURBRXWDSS-SECBINFHSA-N
XLogP1.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 34954333
N-(2-ethoxy-3-pyridinyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55678986
N-[2-(ethylaminomethyl)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119440503
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 55678850
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
N-(5-chloro-2-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956776
methyl 4-methyl-3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 55605186
(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51937772
(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 34880061
N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155909966
ethyl (E)-3-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]prop-2-enoate
CID 55607918
3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196327

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 34955432) is (3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCOc1ncccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of (3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is FXZGBURBRXWDSS-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-2-23-13-10(4-3-5-18-13)19-12(22)9-6-11(21)20(7-9)8-14(15,16)17/h3-5,9H,2,6-8H2,1H3,(H,19,22)/t9-/m1/s1.
What are the key properties of (3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 34955432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).