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

C17H18FN5O2 — CID 128993381

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

5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 128993381) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 128993381
• Molecular Formula: C17H18FN5O2
• Molecular Weight: 343.36 g/mol
• Exact Mass: 343.14
• IUPAC Name: 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide
• SMILES: Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccc(C#N)cn2)on1
• InChI: InChI=1S/C17H18FN5O2/c1-11-4-15(25-22-11)10-23-9-13(18)5-14(23)8-21-17(24)16-3-2-12(6-19)7-20-16/h2-4,7,13-14H,5,8-10H2,1H3,(H,21,24)/t13-,14-/m0/s1
• InChIKey: SOOCCPAJCXNWBJ-KBPBESRZSA-N
• XLogP: 1.59
• TPSA: 95.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.36
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide (CID 128993381) is 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide.

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

The canonical SMILES for 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide is Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccc(C#N)cn2)on1.

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

The InChIKey is SOOCCPAJCXNWBJ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-11-4-15(25-22-11)10-23-9-13(18)5-14(23)8-21-17(24)16-3-2-12(6-19)7-20-16/h2-4,7,13-14H,5,8-10H2,1H3,(H,21,24)/t13-,14-/m0/s1.

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

5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 128993381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).