N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C16H22F3N3O2 — CID 128997680

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)COCC(F)(F)F
InChIInChI=1S/C16H22F3N3O2/c1-21-7-5-13(15(21)12-4-3-6-20-8-12)9-22(2)14(23)10-24-11-16(17,18)19/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyGWYRBCPHZYSBSH-ZFWWWQNUSA-N
MW345.37 g/mol
LogP2.11
Rot. Bonds6

About N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 128997680) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID128997680
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)COCC(F)(F)F
InChIInChI=1S/C16H22F3N3O2/c1-21-7-5-13(15(21)12-4-3-6-20-8-12)9-22(2)14(23)10-24-11-16(17,18)19/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyGWYRBCPHZYSBSH-ZFWWWQNUSA-N
XLogP2.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 128995545
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide
CID 129006575
N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 128970240
N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
CID 129337601
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129004766
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 128972313
4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
CID 128997530
(2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129341244
(2S,4S)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129341245
1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 129006470
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 128971727
(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129335114

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 128997680) is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is GWYRBCPHZYSBSH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-21-7-5-13(15(21)12-4-3-6-20-8-12)9-22(2)14(23)10-24-11-16(17,18)19/h3-4,6,8,13,15H,5,7,9-11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 128997680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).