2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol

C125H144Cl6N20O24 — CID 159454411

About 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol

2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol (PubChem CID 159454411) has the molecular formula C125H144Cl6N20O24 and a molecular weight of 2523.36 g/mol. Its IUPAC name is 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol.

Molecular Properties

• Compound Name: 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol
• PubChem CID: 159454411
• Molecular Formula: C125H144Cl6N20O24
• Molecular Weight: 2523.36 g/mol
• Exact Mass: 2518.88
• IUPAC Name: 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol
• SMILES: COC(=O)[C@@H](N)Cc1ccc(OCCc2ccc3c(n2)NCCC3)cn1.COC(=O)[C@H](Cc1ccc(O)cn1)NC(=O)OC(C)(C)C.COC(=O)[C@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cn1)NC(=O)OC(C)(C)C.COC(=O)[C@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cn1)NC(=O)c1c(Cl)cccc1Cl.O=C(N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cn1)C(=O)O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.OCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C26H26Cl2N4O4.C25H24Cl2N4O4.C24H32N4O5.C19H24N4O3.C14H20N2O5.C10H14N2O.C7H4Cl2O2/c1-35-26(34)22(32-25(33)23-20(27)5-2-6-21(23)28)14-18-9-10-19(15-30-18)36-13-11-17-8-7-16-4-3-12-29-24(16)31-17;26-19-4-1-5-20(27)22(19)24(32)31-21(25(33)34)13-17-8-9-18(14-29-17)35-12-10-16-7-6-15-3-2-11-28-23(15)30-16;1-24(2,3)33-23(30)28-20(22(29)31-4)14-18-9-10-19(15-26-18)32-13-11-17-8-7-16-6-5-12-25-21(16)27-17;1-25-19(24)17(20)11-15-6-7-16(12-22-15)26-10-8-14-5-4-13-3-2-9-21-18(13)23-14;1-14(2,3)21-13(19)16-11(12(18)20-4)7-9-5-6-10(17)8-15-9;13-7-5-9-4-3-8-2-1-6-11-10(8)12-9;8-4-2-1-3-5(9)6(4)7(10)11/h2,5-10,15,22H,3-4,11-14H2,1H3,(H,29,31)(H,32,33);1,4-9,14,21H,2-3,10-13H2,(H,28,30)(H,31,32)(H,33,34);7-10,15,20H,5-6,11-14H2,1-4H3,(H,25,27)(H,28,30);4-7,12,17H,2-3,8-11,20H2,1H3,(H,21,23);5-6,8,11,17H,7H2,1-4H3,(H,16,19);3-4,13H,1-2,5-7H2,(H,11,12);1-3H,(H,10,11)/t22-;21-;20-;17-;11-;;/m00000../s1
• InChIKey: LTUAFKCXICTGIB-LHJNGRHNSA-N
• XLogP: 18.09
• TPSA: 607.11 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2523.36
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol?

The IUPAC name of 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol (CID 159454411) is 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol.

What is the SMILES notation for 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol?

The canonical SMILES for 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol is COC(=O)[C@@H](N)Cc1ccc(OCCc2ccc3c(n2)NCCC3)cn1.COC(=O)[C@H](Cc1ccc(O)cn1)NC(=O)OC(C)(C)C.COC(=O)[C@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cn1)NC(=O)OC(C)(C)C.COC(=O)[C@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cn1)NC(=O)c1c(Cl)cccc1Cl.O=C(N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cn1)C(=O)O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.OCCc1ccc2c(n1)NCCC2.

What is the InChIKey of 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol?

The InChIKey is LTUAFKCXICTGIB-LHJNGRHNSA-N. The full InChI is InChI=1S/C26H26Cl2N4O4.C25H24Cl2N4O4.C24H32N4O5.C19H24N4O3.C14H20N2O5.C10H14N2O.C7H4Cl2O2/c1-35-26(34)22(32-25(33)23-20(27)5-2-6-21(23)28)14-18-9-10-19(15-30-18)36-13-11-17-8-7-16-4-3-12-29-24(16)31-17;26-19-4-1-5-20(27)22(19)24(32)31-21(25(33)34)13-17-8-9-18(14-29-17)35-12-10-16-7-6-15-3-2-11-28-23(15)30-16;1-24(2,3)33-23(30)28-20(22(29)31-4)14-18-9-10-19(15-26-18)32-13-11-17-8-7-16-6-5-12-25-21(16)27-17;1-25-19(24)17(20)11-15-6-7-16(12-22-15)26-10-8-14-5-4-13-3-2-9-21-18(13)23-14;1-14(2,3)21-13(19)16-11(12(18)20-4)7-9-5-6-10(17)8-15-9;13-7-5-9-4-3-8-2-1-6-11-10(8)12-9;8-4-2-1-3-5(9)6(4)7(10)11/h2,5-10,15,22H,3-4,11-14H2,1H3,(H,29,31)(H,32,33);1,4-9,14,21H,2-3,10-13H2,(H,28,30)(H,31,32)(H,33,34);7-10,15,20H,5-6,11-14H2,1-4H3,(H,25,27)(H,28,30);4-7,12,17H,2-3,8-11,20H2,1H3,(H,21,23);5-6,8,11,17H,7H2,1-4H3,(H,16,19);3-4,13H,1-2,5-7H2,(H,11,12);1-3H,(H,10,11)/t22-;21-;20-;17-;11-;;/m00000../s1.

What are the key properties of 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol?

2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol has a molecular weight of 2523.36 g/mol, XLogP of 18.09, 40 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid;methyl (2S)-2-amino-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;methyl (2S)-3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoate;2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol is sourced from PubChem (CID 159454411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).