2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine

C107H124F2N22O16S — CID 172972247

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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine

2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine (PubChem CID 172972247) has the molecular formula C107H124F2N22O16S and a molecular weight of 2044.37 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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine.

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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine
• PubChem CID: 172972247
• Molecular Formula: C107H124F2N22O16S
• Molecular Weight: 2044.37 g/mol
• Exact Mass: 2042.93
• 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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine
• SMILES: COC(OC)C(C)=O.COC(OC)c1ccc2c(n1)NCCC2.COC(OC)c1ccc2cccnc2n1.COc1ccc(Cn2c(NCc3ccc4c(n3)CCCC4)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1.COc1ccc(Cn2c(SC)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1.NCc1ccc2c(n1)NCCC2.Nc1ncccc1C=O.O/N=C\c1ccc2c(n1)NCCC2.O=Cc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C28H28FN5O3.C19H18FN3O3S.C11H16N2O2.C11H12N2O2.C9H11N3O.C9H13N3.C9H10N2O.C6H6N2O.C5H10O3/c1-37-24-14-8-20(9-15-24)17-33-26(30-16-23-13-10-21-4-2-3-5-25(21)31-23)32-27(35)34(28(33)36)18-19-6-11-22(29)12-7-19;1-26-16-9-5-14(6-10-16)12-23-18(27-2)21-17(24)22(19(23)25)11-13-3-7-15(20)8-4-13;2*1-14-11(15-2)9-6-5-8-4-3-7-12-10(8)13-9;13-11-6-8-4-3-7-2-1-5-10-9(7)12-8;10-6-8-4-3-7-2-1-5-11-9(7)12-8;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/h6-15H,2-5,16-18H2,1H3,(H,30,32,35);3-10H,11-12H2,1-2H3;5-6,11H,3-4,7H2,1-2H3,(H,12,13);3-7,11H,1-2H3;3-4,6,13H,1-2,5H2,(H,10,12);3-4H,1-2,5-6,10H2,(H,11,12);3-4,6H,1-2,5H2,(H,10,11);1-4H,(H2,7,8);5H,1-3H3/b;;;;11-6-
• InChIKey: FGLUVMMUEGVAMM-BYZLWLGPSA-N
• XLogP: 13.63
• TPSA: 486.73 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2044.37
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine?

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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine (CID 172972247) 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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine.

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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine?

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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine is COC(OC)C(C)=O.COC(OC)c1ccc2c(n1)NCCC2.COC(OC)c1ccc2cccnc2n1.COc1ccc(Cn2c(NCc3ccc4c(n3)CCCC4)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1.COc1ccc(Cn2c(SC)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1.NCc1ccc2c(n1)NCCC2.Nc1ncccc1C=O.O/N=C\c1ccc2c(n1)NCCC2.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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine?

The InChIKey is FGLUVMMUEGVAMM-BYZLWLGPSA-N. The full InChI is InChI=1S/C28H28FN5O3.C19H18FN3O3S.C11H16N2O2.C11H12N2O2.C9H11N3O.C9H13N3.C9H10N2O.C6H6N2O.C5H10O3/c1-37-24-14-8-20(9-15-24)17-33-26(30-16-23-13-10-21-4-2-3-5-25(21)31-23)32-27(35)34(28(33)36)18-19-6-11-22(29)12-7-19;1-26-16-9-5-14(6-10-16)12-23-18(27-2)21-17(24)22(19(23)25)11-13-3-7-15(20)8-4-13;2*1-14-11(15-2)9-6-5-8-4-3-7-12-10(8)13-9;13-11-6-8-4-3-7-2-1-5-10-9(7)12-8;10-6-8-4-3-7-2-1-5-11-9(7)12-8;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/h6-15H,2-5,16-18H2,1H3,(H,30,32,35);3-10H,11-12H2,1-2H3;5-6,11H,3-4,7H2,1-2H3,(H,12,13);3-7,11H,1-2H3;3-4,6,13H,1-2,5H2,(H,10,12);3-4H,1-2,5-6,10H2,(H,11,12);3-4,6H,1-2,5H2,(H,10,11);1-4H,(H2,7,8);5H,1-3H3/b;;;;11-6-;;;;.

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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine?

2-aminopyridine-3-carbaldehyde;2-(dimethoxymethyl)-1,8-naphthyridine;7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-dimethoxypropan-2-one;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine has a molecular weight of 2044.37 g/mol, XLogP of 13.63, 27 rotatable bonds, 8 hydrogen bond donors, and 39 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;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)-1,3,5-triazine-2,4-dione;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine;(NZ)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 172972247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).