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-tetrahydro-1,8-naphthyridin-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;(NE)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine

C106H123F2N23O16S — CID 172937549

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-tetrahydro-1,8-naphthyridin-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;(NE)-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-tetrahydro-1,8-naphthyridin-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;(NE)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine (PubChem CID 172937549) has the molecular formula C106H123F2N23O16S and a molecular weight of 2045.36 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-tetrahydro-1,8-naphthyridin-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;(NE)-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-tetrahydro-1,8-naphthyridin-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;(NE)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine
• PubChem CID: 172937549
• Molecular Formula: C106H123F2N23O16S
• Molecular Weight: 2045.36 g/mol
• Exact Mass: 2043.92
• 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-tetrahydro-1,8-naphthyridin-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;(NE)-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)NCCC4)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/C27H27FN6O3.C19H18FN3O3S.C11H16N2O2.C11H12N2O2.C9H11N3O.C9H13N3.C9H10N2O.C6H6N2O.C5H10O3/c1-37-23-12-6-19(7-13-23)16-33-25(30-15-22-11-8-20-3-2-14-29-24(20)31-22)32-26(35)34(27(33)36)17-18-4-9-21(28)10-5-18;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/h4-13H,2-3,14-17H2,1H3,(H,29,31)(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: NUTQEFHOFRJORF-FKPSIVHTSA-N
• XLogP: 13.11
• TPSA: 498.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2045.36
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

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-tetrahydro-1,8-naphthyridin-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;(NE)-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-tetrahydro-1,8-naphthyridin-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;(NE)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine (CID 172937549) 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-tetrahydro-1,8-naphthyridin-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;(NE)-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-tetrahydro-1,8-naphthyridin-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;(NE)-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-tetrahydro-1,8-naphthyridin-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;(NE)-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)NCCC4)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-tetrahydro-1,8-naphthyridin-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;(NE)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine?

The InChIKey is NUTQEFHOFRJORF-FKPSIVHTSA-N. The full InChI is InChI=1S/C27H27FN6O3.C19H18FN3O3S.C11H16N2O2.C11H12N2O2.C9H11N3O.C9H13N3.C9H10N2O.C6H6N2O.C5H10O3/c1-37-23-12-6-19(7-13-23)16-33-25(30-15-22-11-8-20-3-2-14-29-24(20)31-22)32-26(35)34(27(33)36)17-18-4-9-21(28)10-5-18;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/h4-13H,2-3,14-17H2,1H3,(H,29,31)(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-tetrahydro-1,8-naphthyridin-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;(NE)-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-tetrahydro-1,8-naphthyridin-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;(NE)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine has a molecular weight of 2045.36 g/mol, XLogP of 13.11, 27 rotatable bonds, 9 hydrogen bond donors, and 40 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-tetrahydro-1,8-naphthyridin-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;(NE)-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 172937549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).