N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide

C20H28F2N4O2 — CID 171386796

IUPACN-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide
SMILESCN1[C@@H](CC(=O)N2CCC(F)(F)CC2)CC[C@H]1CNC(=O)Cc1ccccn1
InChIInChI=1S/C20H28F2N4O2/c1-25-16(13-19(28)26-10-7-20(21,22)8-11-26)5-6-17(25)14-24-18(27)12-15-4-2-3-9-23-15/h2-4,9,16-17H,5-8,10-14H2,1H3,(H,24,27)/t16-,17+/m1/s1
InChIKeyGGCLHLDDVIIFOX-SJORKVTESA-N
MW394.47 g/mol
LogP1.85
Rot. Bonds6

About N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide

N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide (PubChem CID 171386796) has the molecular formula C20H28F2N4O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide
PubChem CID171386796
Molecular FormulaC20H28F2N4O2
Molecular Weight394.47 g/mol
Exact Mass394.22
IUPAC NameN-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide
SMILESCN1[C@@H](CC(=O)N2CCC(F)(F)CC2)CC[C@H]1CNC(=O)Cc1ccccn1
InChIInChI=1S/C20H28F2N4O2/c1-25-16(13-19(28)26-10-7-20(21,22)8-11-26)5-6-17(25)14-24-18(27)12-15-4-2-3-9-23-15/h2-4,9,16-17H,5-8,10-14H2,1H3,(H,24,27)/t16-,17+/m1/s1
InChIKeyGGCLHLDDVIIFOX-SJORKVTESA-N
XLogP1.85
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 171388121
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
N-(2-oxo-2-piperazin-1-ylethyl)-2-pyridin-2-ylacetamide
CID 61174926
2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 171389370
1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
CID 131687605
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
(E)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-phenylprop-2-enamide
CID 165426080
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide
CID 165422911
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171992794
tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate
CID 139271621
N-(3-hydroxy-2-methylpropyl)-2-pyridin-2-ylacetamide
CID 65037494

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide (CID 171386796) is N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide is CN1[C@@H](CC(=O)N2CCC(F)(F)CC2)CC[C@H]1CNC(=O)Cc1ccccn1.
What is the InChIKey of N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide?
The InChIKey is GGCLHLDDVIIFOX-SJORKVTESA-N. The full InChI is InChI=1S/C20H28F2N4O2/c1-25-16(13-19(28)26-10-7-20(21,22)8-11-26)5-6-17(25)14-24-18(27)12-15-4-2-3-9-23-15/h2-4,9,16-17H,5-8,10-14H2,1H3,(H,24,27)/t16-,17+/m1/s1.
What are the key properties of N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide?
N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide has a molecular weight of 394.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 171386796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).