N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide

C23H29BrN4O2 — CID 51961356

About N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide (PubChem CID 51961356) has the molecular formula C23H29BrN4O2 and a molecular weight of 473.42 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide
• PubChem CID: 51961356
• Molecular Formula: C23H29BrN4O2
• Molecular Weight: 473.42 g/mol
• Exact Mass: 472.15
• IUPAC Name: N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide
• SMILES: CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
• InChI: InChI=1S/C23H29BrN4O2/c1-15(2)19-6-4-5-7-20(19)26-22(29)16(3)28-12-10-17(11-13-28)23(30)27-21-9-8-18(24)14-25-21/h4-9,14-17H,10-13H2,1-3H3,(H,26,29)(H,25,27,30)/t16-/m0/s1
• InChIKey: RDPXCORHLORKPJ-INIZCTEOSA-N
• XLogP: 4.65
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.42
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide (CID 51961356) is N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide is CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide?

The InChIKey is RDPXCORHLORKPJ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H29BrN4O2/c1-15(2)19-6-4-5-7-20(19)26-22(29)16(3)28-12-10-17(11-13-28)23(30)27-21-9-8-18(24)14-25-21/h4-9,14-17H,10-13H2,1-3H3,(H,26,29)(H,25,27,30)/t16-/m0/s1.

What are the key properties of N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide?

N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 473.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 51961356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).