2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate

C131H176N18O25 — CID 162073481

About 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate

2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate (PubChem CID 162073481) has the molecular formula C131H176N18O25 and a molecular weight of 2402.95 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate.

Molecular Properties

• Compound Name: 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate
• PubChem CID: 162073481
• Molecular Formula: C131H176N18O25
• Molecular Weight: 2402.95 g/mol
• Exact Mass: 2401.31
• IUPAC Name: 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate
• SMILES: CO.COC(=O)CC(CCCN1CC[C@@H](CCC(C)=O)C1=O)c1ccc(OC)nc1.COC(=O)CC(CCCN1CC[C@@H](CCC2(C)OCCO2)C1=O)c1ccc(OC)nc1.COC(=O)CC(CCCN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc(OC)nc1.COC(=O)CC(CCCN1CC[C@@H](CCc2ccc3cccnc3n2)C1=O)c1ccc(OC)nc1.COc1ccc(C(CCCN2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2=O)CC(=O)O)cn1.Nc1ncccc1C=O
• InChI: InChI=1S/C27H36N4O4.C27H32N4O4.C26H34N4O4.C23H34N2O6.C21H30N2O5.C6H6N2O.CH4O/c2*1-34-24-12-9-22(18-29-24)21(17-25(32)35-2)6-4-15-31-16-13-20(27(31)33)8-11-23-10-7-19-5-3-14-28-26(19)30-23;1-34-23-11-8-21(17-28-23)20(16-24(31)32)5-3-14-30-15-12-19(26(30)33)7-10-22-9-6-18-4-2-13-27-25(18)29-22;1-23(30-13-14-31-23)10-8-17-9-12-25(22(17)27)11-4-5-18(15-21(26)29-3)19-6-7-20(28-2)24-16-19;1-15(24)6-7-16-10-12-23(21(16)26)11-4-5-17(13-20(25)28-3)18-8-9-19(27-2)22-14-18;7-6-5(4-9)2-1-3-8-6;1-2/h7,9-10,12,18,20-21H,3-6,8,11,13-17H2,1-2H3,(H,28,30);3,5,7,9-10,12,14,18,20-21H,4,6,8,11,13,15-17H2,1-2H3;6,8-9,11,17,19-20H,2-5,7,10,12-16H2,1H3,(H,27,29)(H,31,32);6-7,16-18H,4-5,8-15H2,1-3H3;8-9,14,16-17H,4-7,10-13H2,1-3H3;1-4H,(H2,7,8);2H,1H3/t2*20-,21?;19-,20?;17-,18?;16-,17?;;/m11111../s1
• InChIKey: ZBKAKKZGRCUEDP-VYZNIZKFSA-N
• XLogP: 17.08
• TPSA: 542.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 56
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2402.95
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate?

The IUPAC name of 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate (CID 162073481) is 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate.

What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate?

The canonical SMILES for 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate is CO.COC(=O)CC(CCCN1CC[C@@H](CCC(C)=O)C1=O)c1ccc(OC)nc1.COC(=O)CC(CCCN1CC[C@@H](CCC2(C)OCCO2)C1=O)c1ccc(OC)nc1.COC(=O)CC(CCCN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc(OC)nc1.COC(=O)CC(CCCN1CC[C@@H](CCc2ccc3cccnc3n2)C1=O)c1ccc(OC)nc1.COc1ccc(C(CCCN2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2=O)CC(=O)O)cn1.Nc1ncccc1C=O.

What is the InChIKey of 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate?

The InChIKey is ZBKAKKZGRCUEDP-VYZNIZKFSA-N. The full InChI is InChI=1S/C27H36N4O4.C27H32N4O4.C26H34N4O4.C23H34N2O6.C21H30N2O5.C6H6N2O.CH4O/c2*1-34-24-12-9-22(18-29-24)21(17-25(32)35-2)6-4-15-31-16-13-20(27(31)33)8-11-23-10-7-19-5-3-14-28-26(19)30-23;1-34-23-11-8-21(17-28-23)20(16-24(31)32)5-3-14-30-15-12-19(26(30)33)7-10-22-9-6-18-4-2-13-27-25(18)29-22;1-23(30-13-14-31-23)10-8-17-9-12-25(22(17)27)11-4-5-18(15-21(26)29-3)19-6-7-20(28-2)24-16-19;1-15(24)6-7-16-10-12-23(21(16)26)11-4-5-17(13-20(25)28-3)18-8-9-19(27-2)22-14-18;7-6-5(4-9)2-1-3-8-6;1-2/h7,9-10,12,18,20-21H,3-6,8,11,13-17H2,1-2H3,(H,28,30);3,5,7,9-10,12,14,18,20-21H,4,6,8,11,13,15-17H2,1-2H3;6,8-9,11,17,19-20H,2-5,7,10,12-16H2,1H3,(H,27,29)(H,31,32);6-7,16-18H,4-5,8-15H2,1-3H3;8-9,14,16-17H,4-7,10-13H2,1-3H3;1-4H,(H2,7,8);2H,1H3/t2*20-,21?;19-,20?;17-,18?;16-,17?;;/m11111../s1.

What are the key properties of 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate?

2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate has a molecular weight of 2402.95 g/mol, XLogP of 17.08, 56 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyridine-3-carbaldehyde;methanol;3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate is sourced from PubChem (CID 162073481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).