N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide

C17H22F3N3O3 — CID 70781427

IUPACN-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1NC(C)=O
InChIInChI=1S/C17H22F3N3O3/c1-3-4-12-7-22(9-14(12)21-11(2)24)16(26)10-23-8-13(17(18,19)20)5-6-15(23)25/h5-6,8,12,14H,3-4,7,9-10H2,1-2H3,(H,21,24)/t12-,14-/m1/s1
InChIKeyAFXTVLWODFXDJS-TZMCWYRMSA-N
MW373.38 g/mol
LogP1.63
Rot. Bonds5

About N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 70781427) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID70781427
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC NameN-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1NC(C)=O
InChIInChI=1S/C17H22F3N3O3/c1-3-4-12-7-22(9-14(12)21-11(2)24)16(26)10-23-8-13(17(18,19)20)5-6-15(23)25/h5-6,8,12,14H,3-4,7,9-10H2,1-2H3,(H,21,24)/t12-,14-/m1/s1
InChIKeyAFXTVLWODFXDJS-TZMCWYRMSA-N
XLogP1.63
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623831
N-[rel-(3R,4S)-1-(cyclobutylmethyl)-4-isopropyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-3-pyridinecarboxamide hydrochloride
CID 72847325
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
N'-(cyclopentylmethyl)-N'-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53613259
(2S,4R)-4-amino-N-methyl-1-{[2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetyl}pyrrolidine-2-carboxamide
CID 56701389
1-[2-(2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-5-(trifluoromethyl)-2(1H)-pyridinone hydrochloride
CID 56749370
1-{2-[(3aR*,7aS*)-5-methyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-2-oxoethyl}-5-(trifluoromethyl)-2(1H)-pyridinone
CID 56870545
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-pentan-2-yl]acetamide
CID 94177643
2-amino-4,4,4-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 20589516
2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 20589517
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
(2S)-2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 70086543

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide (CID 70781427) is N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is AFXTVLWODFXDJS-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-3-4-12-7-22(9-14(12)21-11(2)24)16(26)10-23-8-13(17(18,19)20)5-6-15(23)25/h5-6,8,12,14H,3-4,7,9-10H2,1-2H3,(H,21,24)/t12-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 373.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70781427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).