N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide

C23H29BrN4O2 — CID 55816727

About N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55816727) has the molecular formula C23H29BrN4O2 and a molecular weight of 473.42 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
• PubChem CID: 55816727
• Molecular Formula: C23H29BrN4O2
• Molecular Weight: 473.42 g/mol
• Exact Mass: 472.15
• IUPAC Name: N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
• SMILES: Cc1cccc(C(C)C)c1NC(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1
• InChI: InChI=1S/C23H29BrN4O2/c1-15(2)19-6-4-5-16(3)22(19)27-21(29)14-28-11-9-17(10-12-28)23(30)26-20-8-7-18(24)13-25-20/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,27,29)(H,25,26,30)
• InChIKey: JOPBUVAVYUEIEU-UHFFFAOYSA-N
• XLogP: 4.57
• 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	4.57
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-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 55816727) is N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1cccc(C(C)C)c1NC(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?

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

What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?

N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 473.42 g/mol, XLogP of 4.57, 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-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55816727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).