2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C19H26N6O3 — CID 166622994

IUPAC2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)NCCc2nc(-c3ccccn3)no2)N1C
InChIInChI=1S/C19H26N6O3/c1-13(26)22-12-15-7-6-14(25(15)2)11-17(27)21-10-8-18-23-19(24-28-18)16-5-3-4-9-20-16/h3-5,9,14-15H,6-8,10-12H2,1-2H3,(H,21,27)(H,22,26)/t14-,15+/m0/s1
InChIKeyKCJDPHCTJQDLQP-LSDHHAIUSA-N
MW386.46 g/mol
LogP0.78
Rot. Bonds8

About 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 166622994) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID166622994
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)NCCc2nc(-c3ccccn3)no2)N1C
InChIInChI=1S/C19H26N6O3/c1-13(26)22-12-15-7-6-14(25(15)2)11-17(27)21-10-8-18-23-19(24-28-18)16-5-3-4-9-20-16/h3-5,9,14-15H,6-8,10-12H2,1-2H3,(H,21,27)(H,22,26)/t14-,15+/m0/s1
InChIKeyKCJDPHCTJQDLQP-LSDHHAIUSA-N
XLogP0.78
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99934293
(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 126424696
(1R,6S,8R)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-pyrimidin-2-yl-3-azabicyclo[4.2.0]octane-8-carboxamide
CID 170508501
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126449114
2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide
CID 91775954
3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide
CID 91794923
N-[2-(2,6-difluorophenyl)ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006930
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 166615503
6-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-2-carboxamide
CID 77082714
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91796955
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77096076
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 91766111

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 166622994) is 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is CC(=O)NC[C@H]1CC[C@@H](CC(=O)NCCc2nc(-c3ccccn3)no2)N1C.
What is the InChIKey of 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is KCJDPHCTJQDLQP-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-13(26)22-12-15-7-6-14(25(15)2)11-17(27)21-10-8-18-23-19(24-28-18)16-5-3-4-9-20-16/h3-5,9,14-15H,6-8,10-12H2,1-2H3,(H,21,27)(H,22,26)/t14-,15+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 166622994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).