(2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide

C13H15F3N4O3 — CID 56720268

IUPAC(2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H15F3N4O3/c1-18-11(22)8-4-6(17)5-20(8)12(23)7-2-3-9(13(14,15)16)19-10(7)21/h2-3,6,8H,4-5,17H2,1H3,(H,18,22)(H,19,21)/t6-,8+/m1/s1
InChIKeyYGOGGNHNLGEOGJ-SVRRBLITSA-N
MW332.28 g/mol
LogP-0.32
Rot. Bonds2

About (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 56720268) has the molecular formula C13H15F3N4O3 and a molecular weight of 332.28 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID56720268
Molecular FormulaC13H15F3N4O3
Molecular Weight332.28 g/mol
Exact Mass332.11
IUPAC Name(2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H15F3N4O3/c1-18-11(22)8-4-6(17)5-20(8)12(23)7-2-3-9(13(14,15)16)19-10(7)21/h2-3,6,8H,4-5,17H2,1H3,(H,18,22)(H,19,21)/t6-,8+/m1/s1
InChIKeyYGOGGNHNLGEOGJ-SVRRBLITSA-N
XLogP-0.32
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide (CID 56720268) is (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is YGOGGNHNLGEOGJ-SVRRBLITSA-N. The full InChI is InChI=1S/C13H15F3N4O3/c1-18-11(22)8-4-6(17)5-20(8)12(23)7-2-3-9(13(14,15)16)19-10(7)21/h2-3,6,8H,4-5,17H2,1H3,(H,18,22)(H,19,21)/t6-,8+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 332.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56720268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).