(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride

C26H26Cl2F4N4O2 — CID 87743095

About (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride

(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride (PubChem CID 87743095) has the molecular formula C26H26Cl2F4N4O2 and a molecular weight of 573.42 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride.

Molecular Properties

• Compound Name: (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride
• PubChem CID: 87743095
• Molecular Formula: C26H26Cl2F4N4O2
• Molecular Weight: 573.42 g/mol
• Exact Mass: 572.14
• IUPAC Name: (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride
• SMILES: Cl.Cl.N[C@@H](CC(=O)NC1Cc2ncccc2N(Cc2ccc(C(F)(F)F)cc2)C1=O)Cc1ccccc1F
• InChI: InChI=1S/C26H24F4N4O2.2ClH/c27-20-5-2-1-4-17(20)12-19(31)13-24(35)33-22-14-21-23(6-3-11-32-21)34(25(22)36)15-16-7-9-18(10-8-16)26(28,29)30;;/h1-11,19,22H,12-15,31H2,(H,33,35);2*1H/t19-,22?;;/m1../s1
• InChIKey: OZMZRSSEIVXOPD-GHVZGCSYSA-N
• XLogP: 4.62
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.42
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride?

The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride (CID 87743095) is (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride.

What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride?

The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride is Cl.Cl.N[C@@H](CC(=O)NC1Cc2ncccc2N(Cc2ccc(C(F)(F)F)cc2)C1=O)Cc1ccccc1F.

What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride?

The InChIKey is OZMZRSSEIVXOPD-GHVZGCSYSA-N. The full InChI is InChI=1S/C26H24F4N4O2.2ClH/c27-20-5-2-1-4-17(20)12-19(31)13-24(35)33-22-14-21-23(6-3-11-32-21)34(25(22)36)15-16-7-9-18(10-8-16)26(28,29)30;;/h1-11,19,22H,12-15,31H2,(H,33,35);2*1H/t19-,22?;;/m1../s1.

What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride?

(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride has a molecular weight of 573.42 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride is sourced from PubChem (CID 87743095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).