(2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide

C52H58F2N8O10S2 — CID 165089791

About (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide

(2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide (PubChem CID 165089791) has the molecular formula C52H58F2N8O10S2 and a molecular weight of 1057.21 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
• PubChem CID: 165089791
• Molecular Formula: C52H58F2N8O10S2
• Molecular Weight: 1057.21 g/mol
• Exact Mass: 1056.37
• IUPAC Name: (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
• SMILES: CCS(=O)(=O)c1cc([C@@H]2CCCN([C@@H](C)C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)C2)c[nH]c1=O.CCS(=O)(=O)c1cc([C@H]2CCCN([C@H](C)C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)C2)c[nH]c1=O
• InChI: InChI=1S/2C26H29FN4O5S/c2*1-3-37(34,35)23-13-19(14-29-26(23)33)18-5-4-12-31(16-18)17(2)25(32)30-24-11-10-22(15-28-24)36-21-8-6-20(27)7-9-21/h2*6-11,13-15,17-18H,3-5,12,16H2,1-2H3,(H,29,33)(H,28,30,32)/t2*17-,18+/m10/s1
• InChIKey: WMTKNNIPHTZRKH-QVUSPSOHSA-N
• XLogP: 7.40
• TPSA: 242.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.21
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide?

The IUPAC name of (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide (CID 165089791) is (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide.

What is the SMILES notation for (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide?

The canonical SMILES for (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide is CCS(=O)(=O)c1cc([C@@H]2CCCN([C@@H](C)C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)C2)c[nH]c1=O.CCS(=O)(=O)c1cc([C@H]2CCCN([C@H](C)C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)C2)c[nH]c1=O.

What is the InChIKey of (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide?

The InChIKey is WMTKNNIPHTZRKH-QVUSPSOHSA-N. The full InChI is InChI=1S/2C26H29FN4O5S/c2*1-3-37(34,35)23-13-19(14-29-26(23)33)18-5-4-12-31(16-18)17(2)25(32)30-24-11-10-22(15-28-24)36-21-8-6-20(27)7-9-21/h2*6-11,13-15,17-18H,3-5,12,16H2,1-2H3,(H,29,33)(H,28,30,32)/t2*17-,18+/m10/s1.

What are the key properties of (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide?

(2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide has a molecular weight of 1057.21 g/mol, XLogP of 7.40, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide is sourced from PubChem (CID 165089791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).