acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid

C128H150F8N17O23+ — CID 157193282

About acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid

acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 157193282) has the molecular formula C128H150F8N17O23+ and a molecular weight of 2446.69 g/mol. Its IUPAC name is acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid
• PubChem CID: 157193282
• Molecular Formula: C128H150F8N17O23+
• Molecular Weight: 2446.69 g/mol
• Exact Mass: 2445.10
• IUPAC Name: acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid
• SMILES: CC(=O)OC(C)=O.CC(=O)c1ccc2c(n1)CCCN2C(=O)OC(C)(C)C.CC(N)c1ccc2c(n1)CCCN2C(=O)OC(C)(C)C.CC(NC(=O)c1ccc(F)cc1)c1ccc2c([n+]1O)CCCN2C(=O)C1CC1.CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2.CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1.CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC(C)(C)C.O=C(O)C(F)(F)F.O=C(O)C1CC1.O=C(O)c1ccc(F)cc1
• InChI: InChI=1S/C22H26FN3O3.C21H22FN3O3.C21H22FN3O2.C17H18FN3O.C15H23N3O2.C15H20N2O3.C7H5FO2.C4H6O3.C4H6O2.C2HF3O2/c1-14(24-20(27)15-7-9-16(23)10-8-15)17-11-12-19-18(25-17)6-5-13-26(19)21(28)29-22(2,3)4;1-13(23-20(26)14-6-8-16(22)9-7-14)17-10-11-18-19(25(17)28)3-2-12-24(18)21(27)15-4-5-15;1-13(23-20(26)14-6-8-16(22)9-7-14)17-10-11-19-18(24-17)3-2-12-25(19)21(27)15-4-5-15;1-11(20-17(22)12-4-6-13(18)7-5-12)14-8-9-15-16(21-14)3-2-10-19-15;1-10(16)11-7-8-13-12(17-11)6-5-9-18(13)14(19)20-15(2,3)4;1-10(18)11-7-8-13-12(16-11)6-5-9-17(13)14(19)20-15(2,3)4;8-6-3-1-5(2-4-6)7(9)10;1-3(5)7-4(2)6;5-4(6)3-1-2-3;3-2(4,5)1(6)7/h7-12,14H,5-6,13H2,1-4H3,(H,24,27);6-11,13,15H,2-5,12H2,1H3,(H-,23,26,28);6-11,13,15H,2-5,12H2,1H3,(H,23,26);4-9,11,19H,2-3,10H2,1H3,(H,20,22);7-8,10H,5-6,9,16H2,1-4H3;7-8H,5-6,9H2,1-4H3;1-4H,(H,9,10);1-2H3;3H,1-2H2,(H,5,6);(H,6,7)/p+1
• InChIKey: VTKYFGJZYIALEL-UHFFFAOYSA-O
• XLogP: 21.90
• TPSA: 544.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2446.69
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid?

The IUPAC name of acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid (CID 157193282) is acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid is CC(=O)OC(C)=O.CC(=O)c1ccc2c(n1)CCCN2C(=O)OC(C)(C)C.CC(N)c1ccc2c(n1)CCCN2C(=O)OC(C)(C)C.CC(NC(=O)c1ccc(F)cc1)c1ccc2c([n+]1O)CCCN2C(=O)C1CC1.CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2.CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1.CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC(C)(C)C.O=C(O)C(F)(F)F.O=C(O)C1CC1.O=C(O)c1ccc(F)cc1.

What is the InChIKey of acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid?

The InChIKey is VTKYFGJZYIALEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26FN3O3.C21H22FN3O3.C21H22FN3O2.C17H18FN3O.C15H23N3O2.C15H20N2O3.C7H5FO2.C4H6O3.C4H6O2.C2HF3O2/c1-14(24-20(27)15-7-9-16(23)10-8-15)17-11-12-19-18(25-17)6-5-13-26(19)21(28)29-22(2,3)4;1-13(23-20(26)14-6-8-16(22)9-7-14)17-10-11-18-19(25(17)28)3-2-12-24(18)21(27)15-4-5-15;1-13(23-20(26)14-6-8-16(22)9-7-14)17-10-11-19-18(24-17)3-2-12-25(19)21(27)15-4-5-15;1-11(20-17(22)12-4-6-13(18)7-5-12)14-8-9-15-16(21-14)3-2-10-19-15;1-10(16)11-7-8-13-12(17-11)6-5-9-18(13)14(19)20-15(2,3)4;1-10(18)11-7-8-13-12(16-11)6-5-9-17(13)14(19)20-15(2,3)4;8-6-3-1-5(2-4-6)7(9)10;1-3(5)7-4(2)6;5-4(6)3-1-2-3;3-2(4,5)1(6)7/h7-12,14H,5-6,13H2,1-4H3,(H,24,27);6-11,13,15H,2-5,12H2,1H3,(H-,23,26,28);6-11,13,15H,2-5,12H2,1H3,(H,23,26);4-9,11,19H,2-3,10H2,1H3,(H,20,22);7-8,10H,5-6,9,16H2,1-4H3;7-8H,5-6,9H2,1-4H3;1-4H,(H,9,10);1-2H3;3H,1-2H2,(H,5,6);(H,6,7)/p+1.

What are the key properties of acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid?

acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 2446.69 g/mol, XLogP of 21.90, 18 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;tert-butyl 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-(1-aminoethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;tert-butyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;N-[1-[5-(cyclopropanecarbonyl)-1-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-1-ium-2-yl]ethyl]-4-fluorobenzamide;cyclopropanecarboxylic acid;4-fluorobenzoic acid;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157193282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).