3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine

C24H27Cl2F3N4O3 — CID 139395569

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine (PubChem CID 139395569) has the molecular formula C24H27Cl2F3N4O3 and a molecular weight of 547.41 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine
• PubChem CID: 139395569
• Molecular Formula: C24H27Cl2F3N4O3
• Molecular Weight: 547.41 g/mol
• Exact Mass: 546.14
• IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine
• SMILES: CCOCCNCc1cc2c(N(C)CC(F)(F)F)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
• InChI: InChI=1S/C24H27Cl2F3N4O3/c1-5-36-7-6-30-12-15-9-16-14(11-31-15)8-17(32-23(16)33(2)13-24(27,28)29)20-21(25)18(34-3)10-19(35-4)22(20)26/h8-11,30H,5-7,12-13H2,1-4H3
• InChIKey: KRRSYCRUGOGJIR-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 68.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.41
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine?

The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine (CID 139395569) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine.

What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine?

The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine is CCOCCNCc1cc2c(N(C)CC(F)(F)F)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.

What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine?

The InChIKey is KRRSYCRUGOGJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2F3N4O3/c1-5-36-7-6-30-12-15-9-16-14(11-31-15)8-17(32-23(16)33(2)13-24(27,28)29)20-21(25)18(34-3)10-19(35-4)22(20)26/h8-11,30H,5-7,12-13H2,1-4H3.

What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine?

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine has a molecular weight of 547.41 g/mol, XLogP of 5.75, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[(2-ethoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-2,6-naphthyridin-1-amine is sourced from PubChem (CID 139395569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).