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

C15H19N7O2 — CID 72837801

IUPAC(3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCN1C[C@H]2CNC[C@@]2(C(=O)NCc2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C15H19N7O2/c1-22-7-10-5-16-8-15(10,9-22)14(23)19-6-11-20-13(21-24-11)12-17-3-2-4-18-12/h2-4,10,16H,5-9H2,1H3,(H,19,23)/t10-,15-/m1/s1
InChIKeyHLRLSXIFNHVFPN-MEBBXXQBSA-N
MW329.36 g/mol
LogP-0.71
Rot. Bonds4

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

(3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 72837801) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID72837801
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCN1C[C@H]2CNC[C@@]2(C(=O)NCc2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C15H19N7O2/c1-22-7-10-5-16-8-15(10,9-22)14(23)19-6-11-20-13(21-24-11)12-17-3-2-4-18-12/h2-4,10,16H,5-9H2,1H3,(H,19,23)/t10-,15-/m1/s1
InChIKeyHLRLSXIFNHVFPN-MEBBXXQBSA-N
XLogP-0.71
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3aR,6aR)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-pyrimidin-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50958905
(3R*,5S*)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72851370
N-propyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide
CID 49745592
N-ethyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide
CID 49745603
(3aR,6aR)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-pyrimidin-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50957183
(3aR*,6aR*)-N-[(1-ethyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-2-ylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
CID 50972948
3-Pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032867
2-[5-(3-Methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine
CID 63145088
5-(3-Ethylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 63145089
5-(4-Methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 63719507
1-tert-butyl-5-oxo-N-{[3-(2-pyrimidinyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pyrrolidinecarboxamide
CID 70740292
1-(2-amino-2-oxoethyl)-N-{[3-(2-pyrimidinyl)-1,2,4-oxadiazol-5-yl]methyl}-3-piperidinecarboxamide
CID 70748323

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 72837801) is (3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is CN1C[C@H]2CNC[C@@]2(C(=O)NCc2nc(-c3ncccn3)no2)C1.
What is the InChIKey of (3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is HLRLSXIFNHVFPN-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-22-7-10-5-16-8-15(10,9-22)14(23)19-6-11-20-13(21-24-11)12-17-3-2-4-18-12/h2-4,10,16H,5-9H2,1H3,(H,19,23)/t10-,15-/m1/s1.
What are the key properties of (3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 329.36 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 72837801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).