N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C19H25F3N4O2 — CID 95816267

IUPACN-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@H]2CCCN2CC(=O)N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C19H25F3N4O2/c1-13(27)23-10-14-11-24-16(9-15(14)19(20,21)22)17-5-4-8-26(17)12-18(28)25-6-2-3-7-25/h9,11,17H,2-8,10,12H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyKMHTVERXYGCRKR-QGZVFWFLSA-N
MW398.43 g/mol
LogP2.50
Rot. Bonds5

About N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 95816267) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID95816267
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC NameN-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@H]2CCCN2CC(=O)N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C19H25F3N4O2/c1-13(27)23-10-14-11-24-16(9-15(14)19(20,21)22)17-5-4-8-26(17)12-18(28)25-6-2-3-7-25/h9,11,17H,2-8,10,12H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyKMHTVERXYGCRKR-QGZVFWFLSA-N
XLogP2.50
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 95816244
N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253855
N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253898
N-[[2-methyl-4-[(2R)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124997828
N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253910
N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124974894
N-[[6-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095581
3-[1-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648376
3-[1-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648197
2-[(2R)-2-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92631041
N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094722
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 95817863

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 95816267) is N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cnc([C@H]2CCCN2CC(=O)N2CCCC2)cc1C(F)(F)F.
What is the InChIKey of N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is KMHTVERXYGCRKR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25F3N4O2/c1-13(27)23-10-14-11-24-16(9-15(14)19(20,21)22)17-5-4-8-26(17)12-18(28)25-6-2-3-7-25/h9,11,17H,2-8,10,12H2,1H3,(H,23,27)/t17-/m1/s1.
What are the key properties of N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 398.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 95816267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).