(2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide

C14H17F3N4O3 — CID 56701389

IUPAC(2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H17F3N4O3/c1-19-13(24)10-4-9(18)6-21(10)12(23)7-20-5-8(14(15,16)17)2-3-11(20)22/h2-3,5,9-10H,4,6-7,18H2,1H3,(H,19,24)/t9-,10+/m1/s1
InChIKeyCZLLNNOHKOVSEI-ZJUUUORDSA-N
MW346.31 g/mol
LogP-0.46
Rot. Bonds3

About (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 56701389) has the molecular formula C14H17F3N4O3 and a molecular weight of 346.31 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide
PubChem CID56701389
Molecular FormulaC14H17F3N4O3
Molecular Weight346.31 g/mol
Exact Mass346.13
IUPAC Name(2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H17F3N4O3/c1-19-13(24)10-4-9(18)6-21(10)12(23)7-20-5-8(14(15,16)17)2-3-11(20)22/h2-3,5,9-10H,4,6-7,18H2,1H3,(H,19,24)/t9-,10+/m1/s1
InChIKeyCZLLNNOHKOVSEI-ZJUUUORDSA-N
XLogP-0.46
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623831
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
CID 72050188
N-{(3R,5S)-1-acetyl-5-[(diethylamino)carbonyl]pyrrolidin-3-yl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide (non-preferred name)
CID 72857517
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-pentan-2-yl]acetamide
CID 94177643
2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide
CID 164636667
N-[(2S)-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-2,5-dimethylbenzene-4-ide-1-carboxamide;yttrium
CID 59696810
7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide
CID 123266509
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 138683674
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 138683677
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 138683791
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 138683904

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide (CID 56701389) is (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is CZLLNNOHKOVSEI-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H17F3N4O3/c1-19-13(24)10-4-9(18)6-21(10)12(23)7-20-5-8(14(15,16)17)2-3-11(20)22/h2-3,5,9-10H,4,6-7,18H2,1H3,(H,19,24)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 346.31 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56701389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).