N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide

C24H27N5O2 — CID 146073285

About N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide

N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide (PubChem CID 146073285) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide
• PubChem CID: 146073285
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(c3nc(C)no3)C2)ccn1
• InChI: InChI=1S/C24H27N5O2/c1-16-10-19(8-9-25-16)22(30)27-21-11-20-14-29(13-18-6-4-3-5-7-18)15-24(20,12-21)23-26-17(2)28-31-23/h3-10,20-21H,11-15H2,1-2H3,(H,27,30)/t20-,21+,24-/m0/s1
• InChIKey: YWUFWDRVZMBWKF-IMSXRSKXSA-N
• XLogP: 3.04
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide?

The IUPAC name of N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide (CID 146073285) is N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide.

What is the SMILES notation for N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide?

The canonical SMILES for N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(c3nc(C)no3)C2)ccn1.

What is the InChIKey of N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide?

The InChIKey is YWUFWDRVZMBWKF-IMSXRSKXSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-10-19(8-9-25-16)22(30)27-21-11-20-14-29(13-18-6-4-3-5-7-18)15-24(20,12-21)23-26-17(2)28-31-23/h3-10,20-21H,11-15H2,1-2H3,(H,27,30)/t20-,21+,24-/m0/s1.

What are the key properties of N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide?

N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 146073285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).