7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

C₂₄H₁₇BrF₅N₅O — CID 156831054

About 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 156831054) has the molecular formula C₂₄H₁₇BrF₅N₅O and a molecular weight of 566.33 g/mol. Its IUPAC name is 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 156831054
• Molecular Formula: C₂₄H₁₇BrF₅N₅O
• Molecular Weight: 566.33 g/mol
• Exact Mass: 565.05
• IUPAC Name: 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
• SMILES: C[C@H](c1ccc(F)cc1F)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1
• InChI: InChI=1S/C24H17BrF5N5O/c1-12(18-5-3-16(26)8-20(18)27)35(11-17-4-2-15(10-32-17)24(28,29)30)23(36)14-6-13-7-19(25)21(31)34-22(13)33-9-14/h2-10,12H,11H2,1H3,(H2,31,33,34)/t12-/m1/s1
• InChIKey: ABKNVPNFQIFWEI-GFCCVEGCSA-N
• XLogP: 6.07
• TPSA: 85.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.33
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 156831054) is 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is C[C@H](c1ccc(F)cc1F)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1.

What is the InChIKey of 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?

The InChIKey is ABKNVPNFQIFWEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H17BrF5N5O/c1-12(18-5-3-16(26)8-20(18)27)35(11-17-4-2-15(10-32-17)24(28,29)30)23(36)14-6-13-7-19(25)21(31)34-22(13)33-9-14/h2-10,12H,11H2,1H3,(H2,31,33,34)/t12-/m1/s1.

What are the key properties of 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?

7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 566.33 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156831054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156831054 — identifiers, structure, computed properties (public domain)

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