4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide

C15H17FN6O2 — CID 128991143

About 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide

4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 128991143) has the molecular formula C15H17FN6O2 and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
• PubChem CID: 128991143
• Molecular Formula: C15H17FN6O2
• Molecular Weight: 332.34 g/mol
• Exact Mass: 332.14
• IUPAC Name: 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
• SMILES: Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cc(C#N)c[nH]2)no1
• InChI: InChI=1S/C15H17FN6O2/c1-9-20-14(21-24-9)8-22-7-11(16)3-12(22)6-19-15(23)13-2-10(4-17)5-18-13/h2,5,11-12,18H,3,6-8H2,1H3,(H,19,23)/t11-,12-/m0/s1
• InChIKey: DPPGFPVTOUNUBA-RYUDHWBXSA-N
• XLogP: 0.92
• TPSA: 110.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.34
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide (CID 128991143) is 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cc(C#N)c[nH]2)no1.

What is the InChIKey of 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?

The InChIKey is DPPGFPVTOUNUBA-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H17FN6O2/c1-9-20-14(21-24-9)8-22-7-11(16)3-12(22)6-19-15(23)13-2-10(4-17)5-18-13/h2,5,11-12,18H,3,6-8H2,1H3,(H,19,23)/t11-,12-/m0/s1.

What are the key properties of 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?

4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 128991143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).