N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C16H20F3N3O3 — CID 72837354

IUPACN-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@@H]1C(C)C
InChIInChI=1S/C16H20F3N3O3/c1-8(2)11-6-22(7-12(11)20-9(3)23)15(25)10-4-5-13(16(17,18)19)21-14(10)24/h4-5,8,11-12H,6-7H2,1-3H3,(H,20,23)(H,21,24)/t11-,12+/m1/s1
InChIKeySHWPFUXFXUNFES-NEPJUHHUSA-N
MW359.35 g/mol
LogP1.63
Rot. Bonds3

About N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 72837354) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID72837354
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC NameN-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@@H]1C(C)C
InChIInChI=1S/C16H20F3N3O3/c1-8(2)11-6-22(7-12(11)20-9(3)23)15(25)10-4-5-13(16(17,18)19)21-14(10)24/h4-5,8,11-12H,6-7H2,1-3H3,(H,20,23)(H,21,24)/t11-,12+/m1/s1
InChIKeySHWPFUXFXUNFES-NEPJUHHUSA-N
XLogP1.63
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 72837354) is N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@@H]1C(C)C.
What is the InChIKey of N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is SHWPFUXFXUNFES-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-8(2)11-6-22(7-12(11)20-9(3)23)15(25)10-4-5-13(16(17,18)19)21-14(10)24/h4-5,8,11-12H,6-7H2,1-3H3,(H,20,23)(H,21,24)/t11-,12+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 359.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72837354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).