(3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C14H16F3N3O2 — CID 129370499

IUPAC(3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1
InChIInChI=1S/C14H16F3N3O2/c1-2-20(11-3-5-18-6-4-11)13(22)10-7-12(21)19(8-10)9-14(15,16)17/h3-6,10H,2,7-9H2,1H3/t10-/m1/s1
InChIKeyHWTFESGHACGMHP-SNVBAGLBSA-N
MW315.29 g/mol
LogP1.85
Rot. Bonds4

About (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 129370499) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID129370499
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC Name(3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1
InChIInChI=1S/C14H16F3N3O2/c1-2-20(11-3-5-18-6-4-11)13(22)10-7-12(21)19(8-10)9-14(15,16)17/h3-6,10H,2,7-9H2,1H3/t10-/m1/s1
InChIKeyHWTFESGHACGMHP-SNVBAGLBSA-N
XLogP1.85
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-N-ethyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 78859850
(3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 52663130
N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63939857
1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17081121
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 515010
(3R)-N-methyl-5-oxo-N-(2-phenylphenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95062442
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 34955432
2-[2-(dimethylamino)ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 126781440
2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
CID 60832506
N-ethyl-1-(1-methylpyrazol-4-yl)-6-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
CID 138026197
N-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113184432

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 129370499) is (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1.
What is the InChIKey of (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is HWTFESGHACGMHP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-2-20(11-3-5-18-6-4-11)13(22)10-7-12(21)19(8-10)9-14(15,16)17/h3-6,10H,2,7-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 315.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 129370499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).