2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol

C59H74N8O10 — CID 161192622

About 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol

2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol (PubChem CID 161192622) has the molecular formula C59H74N8O10 and a molecular weight of 1055.29 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol.

Molecular Properties

• Compound Name: 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol
• PubChem CID: 161192622
• Molecular Formula: C59H74N8O10
• Molecular Weight: 1055.29 g/mol
• Exact Mass: 1054.55
• IUPAC Name: 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol
• SMILES: CC(C)=O.CCOC(=O)C=C1C=Cc2cccnc2N1.CCOC(=O)Cc1ccc2c(n1)CCCC2.CCOC(=O)OCC.Cc1ccc2cccnc2n1.Nc1ncccc1C=O.OCCc1ccc2c(n1)CCCC2
• InChI: InChI=1S/C13H17NO2.C12H12N2O2.C11H15NO.C9H8N2.C6H6N2O.C5H10O3.C3H6O/c1-2-16-13(15)9-11-8-7-10-5-3-4-6-12(10)14-11;1-2-16-11(15)8-10-6-5-9-4-3-7-13-12(9)14-10;13-8-7-10-6-5-9-3-1-2-4-11(9)12-10;1-7-4-5-8-3-2-6-10-9(8)11-7;7-6-5(4-9)2-1-3-8-6;1-3-7-5(6)8-4-2;1-3(2)4/h7-8H,2-6,9H2,1H3;3-8H,2H2,1H3,(H,13,14);5-6,13H,1-4,7-8H2;2-6H,1H3;1-4H,(H2,7,8);3-4H2,1-2H3;1-2H3
• InChIKey: OJQMEZQKVXUBQC-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 257.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.29
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol?

The IUPAC name of 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol (CID 161192622) is 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol.

What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol?

The canonical SMILES for 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol is CC(C)=O.CCOC(=O)C=C1C=Cc2cccnc2N1.CCOC(=O)Cc1ccc2c(n1)CCCC2.CCOC(=O)OCC.Cc1ccc2cccnc2n1.Nc1ncccc1C=O.OCCc1ccc2c(n1)CCCC2.

What is the InChIKey of 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol?

The InChIKey is OJQMEZQKVXUBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C12H12N2O2.C11H15NO.C9H8N2.C6H6N2O.C5H10O3.C3H6O/c1-2-16-13(15)9-11-8-7-10-5-3-4-6-12(10)14-11;1-2-16-11(15)8-10-6-5-9-4-3-7-13-12(9)14-10;13-8-7-10-6-5-9-3-1-2-4-11(9)12-10;1-7-4-5-8-3-2-6-10-9(8)11-7;7-6-5(4-9)2-1-3-8-6;1-3-7-5(6)8-4-2;1-3(2)4/h7-8H,2-6,9H2,1H3;3-8H,2H2,1H3,(H,13,14);5-6,13H,1-4,7-8H2;2-6H,1H3;1-4H,(H2,7,8);3-4H2,1-2H3;1-2H3.

What are the key properties of 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol?

2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol has a molecular weight of 1055.29 g/mol, XLogP of 9.72, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyridine-3-carbaldehyde;diethyl carbonate;ethyl 2-(1H-1,8-naphthyridin-2-ylidene)acetate;ethyl 2-(5,6,7,8-tetrahydroquinolin-2-yl)acetate;2-methyl-1,8-naphthyridine;propan-2-one;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol is sourced from PubChem (CID 161192622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).