8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide

C22H21Br2N5O2 — CID 167926638

About 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide

8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 167926638) has the molecular formula C22H21Br2N5O2 and a molecular weight of 547.25 g/mol. Its IUPAC name is 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
• PubChem CID: 167926638
• Molecular Formula: C22H21Br2N5O2
• Molecular Weight: 547.25 g/mol
• Exact Mass: 545.01
• IUPAC Name: 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
• SMILES: Cc1c(Br)cncc1C(=O)N1CCC(C)C(NC(=O)c2ccc3cncc(Br)c3n2)C1
• InChI: InChI=1S/C22H21Br2N5O2/c1-12-5-6-29(22(31)15-8-26-9-16(23)13(15)2)11-19(12)28-21(30)18-4-3-14-7-25-10-17(24)20(14)27-18/h3-4,7-10,12,19H,5-6,11H2,1-2H3,(H,28,30)
• InChIKey: WKZUILOKQDKXJW-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.25
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?

The IUPAC name of 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (CID 167926638) is 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.

What is the SMILES notation for 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?

The canonical SMILES for 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is Cc1c(Br)cncc1C(=O)N1CCC(C)C(NC(=O)c2ccc3cncc(Br)c3n2)C1.

What is the InChIKey of 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?

The InChIKey is WKZUILOKQDKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Br2N5O2/c1-12-5-6-29(22(31)15-8-26-9-16(23)13(15)2)11-19(12)28-21(30)18-4-3-14-7-25-10-17(24)20(14)27-18/h3-4,7-10,12,19H,5-6,11H2,1-2H3,(H,28,30).

What are the key properties of 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?

8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 547.25 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167926638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).