2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde

C44H60N8O10 — CID 159379990

About 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde

2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde (PubChem CID 159379990) has the molecular formula C44H60N8O10 and a molecular weight of 861.01 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde.

Molecular Properties

• Compound Name: 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde
• PubChem CID: 159379990
• Molecular Formula: C44H60N8O10
• Molecular Weight: 861.01 g/mol
• Exact Mass: 860.44
• IUPAC Name: 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde
• SMILES: CCO.COC(OC)C(C)=O.COC(OC)c1ccc2c(n1)NCCC2.COC(OC)c1ccc2cccnc2n1.Nc1ncccc1C=O.O=Cc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C11H16N2O2.C11H12N2O2.C9H10N2O.C6H6N2O.C5H10O3.C2H6O/c2*1-14-11(15-2)9-6-5-8-4-3-7-12-10(8)13-9;12-6-8-4-3-7-2-1-5-10-9(7)11-8;7-6-5(4-9)2-1-3-8-6;1-4(6)5(7-2)8-3;1-2-3/h5-6,11H,3-4,7H2,1-2H3,(H,12,13);3-7,11H,1-2H3;3-4,6H,1-2,5H2,(H,10,11);1-4H,(H2,7,8);5H,1-3H3;3H,2H2,1H3
• InChIKey: LKUASBIDODDUBZ-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 241.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.01
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde?

The IUPAC name of 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde (CID 159379990) is 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde.

What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde?

The canonical SMILES for 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde is CCO.COC(OC)C(C)=O.COC(OC)c1ccc2c(n1)NCCC2.COC(OC)c1ccc2cccnc2n1.Nc1ncccc1C=O.O=Cc1ccc2c(n1)NCCC2.

What is the InChIKey of 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde?

The InChIKey is LKUASBIDODDUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C11H12N2O2.C9H10N2O.C6H6N2O.C5H10O3.C2H6O/c2*1-14-11(15-2)9-6-5-8-4-3-7-12-10(8)13-9;12-6-8-4-3-7-2-1-5-10-9(7)11-8;7-6-5(4-9)2-1-3-8-6;1-4(6)5(7-2)8-3;1-2-3/h5-6,11H,3-4,7H2,1-2H3,(H,12,13);3-7,11H,1-2H3;3-4,6H,1-2,5H2,(H,10,11);1-4H,(H2,7,8);5H,1-3H3;3H,2H2,1H3.

What are the key properties of 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde?

2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde has a molecular weight of 861.01 g/mol, XLogP of 5.57, 11 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;ethanol;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde is sourced from PubChem (CID 159379990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).