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

C18H23N5O4S — CID 146073078

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

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide (PubChem CID 146073078) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 146073078
• Molecular Formula: C18H23N5O4S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.15
• IUPAC Name: N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N[C@@H]2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(c3nc(C)no3)C2)cn1
• InChI: InChI=1S/C18H23N5O4S/c1-11-4-5-13(8-19-11)16(24)21-15-6-14-9-23(28(3,25)26)10-18(14,7-15)17-20-12(2)22-27-17/h4-5,8,14-15H,6-7,9-10H2,1-3H3,(H,21,24)/t14-,15+,18-/m0/s1
• InChIKey: KOXINVSRCFQMLJ-DAYGRLMNSA-N
• XLogP: 0.80
• TPSA: 118.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide (CID 146073078) is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide.

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

The canonical SMILES for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H]2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(c3nc(C)no3)C2)cn1.

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

The InChIKey is KOXINVSRCFQMLJ-DAYGRLMNSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-11-4-5-13(8-19-11)16(24)21-15-6-14-9-23(28(3,25)26)10-18(14,7-15)17-20-12(2)22-27-17/h4-5,8,14-15H,6-7,9-10H2,1-3H3,(H,21,24)/t14-,15+,18-/m0/s1.

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

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 146073078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).