7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

C23H17BrF4N6O — CID 166710151

About 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 166710151) has the molecular formula C23H17BrF4N6O and a molecular weight of 549.33 g/mol. Its IUPAC name is 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 166710151
• Molecular Formula: C23H17BrF4N6O
• Molecular Weight: 549.33 g/mol
• Exact Mass: 548.06
• IUPAC Name: 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
• SMILES: CC(c1ncccc1F)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1
• InChI: InChI=1S/C23H17BrF4N6O/c1-12(19-18(25)3-2-6-30-19)34(11-16-5-4-15(10-31-16)23(26,27)28)22(35)14-7-13-8-17(24)20(29)33-21(13)32-9-14/h2-10,12H,11H2,1H3,(H2,29,32,33)
• InChIKey: QBOICPVAMLWVFS-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 97.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.33
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 166710151) is 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is CC(c1ncccc1F)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1.

What is the InChIKey of 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?

The InChIKey is QBOICPVAMLWVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrF4N6O/c1-12(19-18(25)3-2-6-30-19)34(11-16-5-4-15(10-31-16)23(26,27)28)22(35)14-7-13-8-17(24)20(29)33-21(13)32-9-14/h2-10,12H,11H2,1H3,(H2,29,32,33).

What are the key properties of 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?

7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 549.33 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-6-bromo-N-[1-(3-fluoro-2-pyridinyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166710151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).