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

C15H15FN6O2 — CID 128988022

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

5-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 128988022) has the molecular formula C15H15FN6O2 and a molecular weight of 330.32 g/mol. Its IUPAC name is 5-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 128988022
• Molecular Formula: C15H15FN6O2
• Molecular Weight: 330.32 g/mol
• Exact Mass: 330.12
• IUPAC Name: 5-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridine-2-carboxamide
• SMILES: Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ccc(C#N)cn2)o1
• InChI: InChI=1S/C15H15FN6O2/c1-9-20-21-15(24-9)22-8-11(16)4-12(22)7-19-14(23)13-3-2-10(5-17)6-18-13/h2-3,6,11-12H,4,7-8H2,1H3,(H,19,23)/t11-,12-/m0/s1
• InChIKey: NQEPEEHQCGHQMM-RYUDHWBXSA-N
• XLogP: 0.99
• TPSA: 107.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.32
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridine-2-carboxamide (CID 128988022) is 5-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridine-2-carboxamide.

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

The canonical SMILES for 5-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridine-2-carboxamide is Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ccc(C#N)cn2)o1.

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

The InChIKey is NQEPEEHQCGHQMM-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H15FN6O2/c1-9-20-21-15(24-9)22-8-11(16)4-12(22)7-19-14(23)13-3-2-10(5-17)6-18-13/h2-3,6,11-12H,4,7-8H2,1H3,(H,19,23)/t11-,12-/m0/s1.

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

5-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 128988022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).