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

C26H24F4N4O2 — CID 11534288

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

(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide (PubChem CID 11534288) has the molecular formula C26H24F4N4O2 and a molecular weight of 500.50 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.

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
• PubChem CID: 11534288
• Molecular Formula: C26H24F4N4O2
• Molecular Weight: 500.50 g/mol
• Exact Mass: 500.18
• 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
• SMILES: N[C@@H](CC(=O)NC1Cc2ncccc2N(Cc2ccc(C(F)(F)F)cc2)C1=O)Cc1ccccc1F
• InChI: InChI=1S/C26H24F4N4O2/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)/t19-,22?/m1/s1
• InChIKey: GODXPPANIFBXTR-LCQOSCCDSA-N
• XLogP: 3.77
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.50
LogP ≤ 5	3.77
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?

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 (CID 11534288) is (3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide.

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?

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 is 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?

The InChIKey is GODXPPANIFBXTR-LCQOSCCDSA-N. The full InChI is InChI=1S/C26H24F4N4O2/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)/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?

(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide has a molecular weight of 500.50 g/mol, XLogP of 3.77, 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 is sourced from PubChem (CID 11534288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).