2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol

C74H73BrCl3N15O15 — CID 159779706

About 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol

2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol (PubChem CID 159779706) has the molecular formula C74H73BrCl3N15O15 and a molecular weight of 1598.75 g/mol. Its IUPAC name is 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol.

Molecular Properties

• Compound Name: 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol
• PubChem CID: 159779706
• Molecular Formula: C74H73BrCl3N15O15
• Molecular Weight: 1598.75 g/mol
• Exact Mass: 1595.37
• IUPAC Name: 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol
• SMILES: CN(CC1(CO)COC1)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(-c3cnn(C)c3)cnc21.CNCC1(CO)COC1.Cn1cc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)O)cn1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)cnc21
• InChI: InChI=1S/C28H29ClN6O5.C22H18ClN5O4.C18H13BrClN3O4.C6H13NO2/c1-33(14-28(15-36)16-40-17-28)24(37)13-35-25-19(7-20(10-30-25)21-11-32-34(2)12-21)8-23(27(35)39)26(38)31-9-18-3-5-22(29)6-4-18;1-27-11-16(10-26-27)15-6-14-7-18(21(31)25-8-13-2-4-17(23)5-3-13)22(32)28(12-19(29)30)20(14)24-9-15;19-12-5-11-6-14(17(26)22-7-10-1-3-13(20)4-2-10)18(27)23(9-15(24)25)16(11)21-8-12;1-7-2-6(3-8)4-9-5-6/h3-8,10-12,36H,9,13-17H2,1-2H3,(H,31,38);2-7,9-11H,8,12H2,1H3,(H,25,31)(H,29,30);1-6,8H,7,9H2,(H,22,26)(H,24,25);7-8H,2-5H2,1H3
• InChIKey: NHEUEICJADJUIT-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 393.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1598.75
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol?

The IUPAC name of 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol (CID 159779706) is 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol.

What is the SMILES notation for 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol?

The canonical SMILES for 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol is CN(CC1(CO)COC1)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(-c3cnn(C)c3)cnc21.CNCC1(CO)COC1.Cn1cc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)O)cn1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)cnc21.

What is the InChIKey of 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol?

The InChIKey is NHEUEICJADJUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN6O5.C22H18ClN5O4.C18H13BrClN3O4.C6H13NO2/c1-33(14-28(15-36)16-40-17-28)24(37)13-35-25-19(7-20(10-30-25)21-11-32-34(2)12-21)8-23(27(35)39)26(38)31-9-18-3-5-22(29)6-4-18;1-27-11-16(10-26-27)15-6-14-7-18(21(31)25-8-13-2-4-17(23)5-3-13)22(32)28(12-19(29)30)20(14)24-9-15;19-12-5-11-6-14(17(26)22-7-10-1-3-13(20)4-2-10)18(27)23(9-15(24)25)16(11)21-8-12;1-7-2-6(3-8)4-9-5-6/h3-8,10-12,36H,9,13-17H2,1-2H3,(H,31,38);2-7,9-11H,8,12H2,1H3,(H,25,31)(H,29,30);1-6,8H,7,9H2,(H,22,26)(H,24,25);7-8H,2-5H2,1H3.

What are the key properties of 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol?

2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol has a molecular weight of 1598.75 g/mol, XLogP of 6.35, 23 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol is sourced from PubChem (CID 159779706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).