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

C22H15BrF4N6O — CID 156830813

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

7-amino-6-bromo-N-[(3-fluoro-2-pyridinyl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 156830813) has the molecular formula C22H15BrF4N6O and a molecular weight of 535.30 g/mol. Its IUPAC name is 7-amino-6-bromo-N-[(3-fluoro-2-pyridinyl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-amino-6-bromo-N-[(3-fluoro-2-pyridinyl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 156830813
• Molecular Formula: C22H15BrF4N6O
• Molecular Weight: 535.30 g/mol
• Exact Mass: 534.04
• IUPAC Name: 7-amino-6-bromo-N-[(3-fluoro-2-pyridinyl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
• SMILES: Nc1nc2ncc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)Cc3ncccc3F)cc2cc1Br
• InChI: InChI=1S/C22H15BrF4N6O/c23-16-7-12-6-13(8-31-20(12)32-19(16)28)21(34)33(11-18-17(24)2-1-5-29-18)10-15-4-3-14(9-30-15)22(25,26)27/h1-9H,10-11H2,(H2,28,31,32)
• InChIKey: HWPDUIFXSIKWGH-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 97.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.30
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-amino-6-bromo-N-[(3-fluoro-2-pyridinyl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 156830813) is 7-amino-6-bromo-N-[(3-fluoro-2-pyridinyl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for 7-amino-6-bromo-N-[(3-fluoro-2-pyridinyl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is Nc1nc2ncc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)Cc3ncccc3F)cc2cc1Br.

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

The InChIKey is HWPDUIFXSIKWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF4N6O/c23-16-7-12-6-13(8-31-20(12)32-19(16)28)21(34)33(11-18-17(24)2-1-5-29-18)10-15-4-3-14(9-30-15)22(25,26)27/h1-9H,10-11H2,(H2,28,31,32).

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

7-amino-6-bromo-N-[(3-fluoro-2-pyridinyl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 535.30 g/mol, XLogP of 4.76, 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-[(3-fluoro-2-pyridinyl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156830813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).