3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide

C25H24F3N3O2 — CID 42276944

About 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide

3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide (PubChem CID 42276944) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
• PubChem CID: 42276944
• Molecular Formula: C25H24F3N3O2
• Molecular Weight: 455.48 g/mol
• Exact Mass: 455.18
• IUPAC Name: 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
• SMILES: O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N[C@@H](c1ccccn1)C(F)(F)F
• InChI: InChI=1S/C25H24F3N3O2/c26-25(27,28)23(20-7-3-4-14-29-20)30-21(32)10-12-24(13-11-22(33)31-24)16-17-8-9-18-5-1-2-6-19(18)15-17/h1-9,14-15,23H,10-13,16H2,(H,30,32)(H,31,33)/t23-,24-/m0/s1
• InChIKey: BTCOZDLZCFQINP-ZEQRLZLVSA-N
• XLogP: 4.63
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.48
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?

The IUPAC name of 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide (CID 42276944) is 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide.

What is the SMILES notation for 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?

The canonical SMILES for 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide is O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N[C@@H](c1ccccn1)C(F)(F)F.

What is the InChIKey of 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?

The InChIKey is BTCOZDLZCFQINP-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c26-25(27,28)23(20-7-3-4-14-29-20)30-21(32)10-12-24(13-11-22(33)31-24)16-17-8-9-18-5-1-2-6-19(18)15-17/h1-9,14-15,23H,10-13,16H2,(H,30,32)(H,31,33)/t23-,24-/m0/s1.

What are the key properties of 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?

3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide has a molecular weight of 455.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide is sourced from PubChem (CID 42276944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).