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

C21H19Br2N5O2 — CID 167924503

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

8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 167924503) has the molecular formula C21H19Br2N5O2 and a molecular weight of 533.22 g/mol. Its IUPAC name is 8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
• PubChem CID: 167924503
• Molecular Formula: C21H19Br2N5O2
• Molecular Weight: 533.22 g/mol
• Exact Mass: 530.99
• IUPAC Name: 8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
• SMILES: CC1CCN(C(=O)c2ccc(Br)cn2)CC1NC(=O)c1ccc2cncc(Br)c2n1
• InChI: InChI=1S/C21H19Br2N5O2/c1-12-6-7-28(21(30)17-5-3-14(22)9-25-17)11-18(12)27-20(29)16-4-2-13-8-24-10-15(23)19(13)26-16/h2-5,8-10,12,18H,6-7,11H2,1H3,(H,27,29)
• InChIKey: RGAFYYRBNZROKI-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.22
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (CID 167924503) is 8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.

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

The canonical SMILES for 8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is CC1CCN(C(=O)c2ccc(Br)cn2)CC1NC(=O)c1ccc2cncc(Br)c2n1.

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

The InChIKey is RGAFYYRBNZROKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Br2N5O2/c1-12-6-7-28(21(30)17-5-3-14(22)9-25-17)11-18(12)27-20(29)16-4-2-13-8-24-10-15(23)19(13)26-16/h2-5,8-10,12,18H,6-7,11H2,1H3,(H,27,29).

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

8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 533.22 g/mol, XLogP of 3.83, 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-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167924503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).