2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride

C70H86ClN17O6 — CID 157057166

About 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride

2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride (PubChem CID 157057166) has the molecular formula C70H86ClN17O6 and a molecular weight of 1297.02 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;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride.

Molecular Properties

• Compound Name: 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride
• PubChem CID: 157057166
• Molecular Formula: C70H86ClN17O6
• Molecular Weight: 1297.02 g/mol
• Exact Mass: 1295.66
• IUPAC Name: 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride
• SMILES: COC(OC)c1ccc2c(n1)NCCC2.COC(OC)c1ccc2cccnc2n1.Cc1ccccn1.Cl.N#CC=Cc1ccc2c(n1)NCCC2.NCCCc1ccc2c(n1)NCCC2.Nc1ccccn1.Nc1ncccc1C=O.O=Cc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C11H17N3.C11H11N3.C11H16N2O2.C11H12N2O2.C9H10N2O.C6H6N2O.C6H7N.C5H6N2.ClH/c2*12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10;2*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;1-6-4-2-3-5-7-6;6-5-3-1-2-4-7-5;/h5-6H,1-4,7-8,12H2,(H,13,14);1,4-6H,2-3,8H2,(H,13,14);5-6,11H,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);2-5H,1H3;1-4H,(H2,6,7);1H
• InChIKey: SJHVWNQBHLCZHK-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 337.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1297.02
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride?

The IUPAC name of 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride (CID 157057166) is 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride.

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;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride?

The canonical SMILES for 2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride is COC(OC)c1ccc2c(n1)NCCC2.COC(OC)c1ccc2cccnc2n1.Cc1ccccn1.Cl.N#CC=Cc1ccc2c(n1)NCCC2.NCCCc1ccc2c(n1)NCCC2.Nc1ccccn1.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;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride?

The InChIKey is SJHVWNQBHLCZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C11H11N3.C11H16N2O2.C11H12N2O2.C9H10N2O.C6H6N2O.C6H7N.C5H6N2.ClH/c2*12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10;2*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;1-6-4-2-3-5-7-6;6-5-3-1-2-4-7-5;/h5-6H,1-4,7-8,12H2,(H,13,14);1,4-6H,2-3,8H2,(H,13,14);5-6,11H,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);2-5H,1H3;1-4H,(H2,6,7);1H.

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;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride?

2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride has a molecular weight of 1297.02 g/mol, XLogP of 11.16, 12 rotatable bonds, 7 hydrogen bond donors, and 23 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;2-methylpyridine;pyridin-2-amine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile;hydrochloride is sourced from PubChem (CID 157057166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).