(2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide

C22H26ClN5O2 — CID 99807599

About (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide (PubChem CID 99807599) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide
• PubChem CID: 99807599
• Molecular Formula: C22H26ClN5O2
• Molecular Weight: 427.94 g/mol
• Exact Mass: 427.18
• IUPAC Name: (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide
• SMILES: C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1
• InChI: InChI=1S/C22H26ClN5O2/c1-16(21(29)25-20-8-7-17(23)15-24-20)26-11-13-27(14-12-26)19-9-10-28(22(19)30)18-5-3-2-4-6-18/h2-8,15-16,19H,9-14H2,1H3,(H,24,25,29)/t16-,19-/m0/s1
• InChIKey: BINCNNLDCSBAFA-LPHOPBHVSA-N
• XLogP: 2.49
• TPSA: 68.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.94
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide?

The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide (CID 99807599) is (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide.

What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide?

The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1.

What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide?

The InChIKey is BINCNNLDCSBAFA-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-16(21(29)25-20-8-7-17(23)15-24-20)26-11-13-27(14-12-26)19-9-10-28(22(19)30)18-5-3-2-4-6-18/h2-8,15-16,19H,9-14H2,1H3,(H,24,25,29)/t16-,19-/m0/s1.

What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide?

(2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide has a molecular weight of 427.94 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 99807599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).