8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride

C38H43Br2ClN8O2 — CID 157149295

About 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride

8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride (PubChem CID 157149295) has the molecular formula C38H43Br2ClN8O2 and a molecular weight of 839.08 g/mol. Its IUPAC name is 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride.

Molecular Properties

• Compound Name: 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride
• PubChem CID: 157149295
• Molecular Formula: C38H43Br2ClN8O2
• Molecular Weight: 839.08 g/mol
• Exact Mass: 836.16
• IUPAC Name: 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride
• SMILES: C.C.CCNc1ccccc1CNC(=O)c1ccc2cncc(Br)c2n1.CC[NH2+]c1ccccc1CNC(=O)c1ccc2cncc(Br)c2n1.[Cl-]
• InChI: InChI=1S/2C18H17BrN4O.2CH4.ClH/c2*1-2-21-15-6-4-3-5-12(15)10-22-18(24)16-8-7-13-9-20-11-14(19)17(13)23-16;;;/h2*3-9,11,21H,2,10H2,1H3,(H,22,24);2*1H4;1H
• InChIKey: HNKTZBNBSITTPY-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 138.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	839.08
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride?

The IUPAC name of 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride (CID 157149295) is 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride.

What is the SMILES notation for 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride?

The canonical SMILES for 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride is C.C.CCNc1ccccc1CNC(=O)c1ccc2cncc(Br)c2n1.CC[NH2+]c1ccccc1CNC(=O)c1ccc2cncc(Br)c2n1.[Cl-].

What is the InChIKey of 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride?

The InChIKey is HNKTZBNBSITTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H17BrN4O.2CH4.ClH/c2*1-2-21-15-6-4-3-5-12(15)10-22-18(24)16-8-7-13-9-20-11-14(19)17(13)23-16;;;/h2*3-9,11,21H,2,10H2,1H3,(H,22,24);2*1H4;1H.

What are the key properties of 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride?

8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride has a molecular weight of 839.08 g/mol, XLogP of 4.57, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride is sourced from PubChem (CID 157149295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).