(3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C17H22N6O2 — CID 50966313

IUPAC(3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCN1C[C@H]2CNC[C@@]2(C(=O)NCCc2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C17H22N6O2/c1-23-9-13-8-19-10-17(13,11-23)16(24)20-6-4-14-21-15(22-25-14)12-3-2-5-18-7-12/h2-3,5,7,13,19H,4,6,8-11H2,1H3,(H,20,24)/t13-,17-/m1/s1
InChIKeyYLOBPDLEJKUWQH-CXAGYDPISA-N
MW342.40 g/mol
LogP-0.06
Rot. Bonds5

About (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50966313) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50966313
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCN1C[C@H]2CNC[C@@]2(C(=O)NCCc2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C17H22N6O2/c1-23-9-13-8-19-10-17(13,11-23)16(24)20-6-4-14-21-15(22-25-14)12-3-2-5-18-7-12/h2-3,5,7,13,19H,4,6,8-11H2,1H3,(H,20,24)/t13-,17-/m1/s1
InChIKeyYLOBPDLEJKUWQH-CXAGYDPISA-N
XLogP-0.06
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 90647929
4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 119074643
(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50975999
(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126427632
2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 121497154
4-methyl-N-[3-oxo-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]propyl]benzamide
CID 91772799
(3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50954774
(3aS,6aS)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 133135186
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55742229
1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 119066688
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide;dihydrochloride
CID 154901382
4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride
CID 171709894

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50966313) is (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is CN1C[C@H]2CNC[C@@]2(C(=O)NCCc2nc(-c3cccnc3)no2)C1.
What is the InChIKey of (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is YLOBPDLEJKUWQH-CXAGYDPISA-N. The full InChI is InChI=1S/C17H22N6O2/c1-23-9-13-8-19-10-17(13,11-23)16(24)20-6-4-14-21-15(22-25-14)12-3-2-5-18-7-12/h2-3,5,7,13,19H,4,6,8-11H2,1H3,(H,20,24)/t13-,17-/m1/s1.
What are the key properties of (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 342.40 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50966313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).