4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide

C98H102Cl8F4N16O8 — CID 159494219

About 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide (PubChem CID 159494219) has the molecular formula C98H102Cl8F4N16O8 and a molecular weight of 1991.61 g/mol. Its IUPAC name is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide.

Molecular Properties

• Compound Name: 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide
• PubChem CID: 159494219
• Molecular Formula: C98H102Cl8F4N16O8
• Molecular Weight: 1991.61 g/mol
• Exact Mass: 1986.55
• IUPAC Name: 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide
• SMILES: CC(Oc1cc(-c2ccc(C(=O)N(C)CCCN(C)C)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2ccc(C(=O)NC3CCNCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2ccc(C(=O)NCCCN)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.CNCCCNC(=O)c1ccc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cc1
• InChI: InChI=1S/C26H29Cl2FN4O2.C25H25Cl2FN4O2.C24H25Cl2FN4O2.C23H23Cl2FN4O2/c1-16(23-20(27)10-11-21(29)24(23)28)35-22-14-19(15-31-25(22)30)17-6-8-18(9-7-17)26(34)33(4)13-5-12-32(2)3;1-14(22-19(26)6-7-20(28)23(22)27)34-21-12-17(13-31-24(21)29)15-2-4-16(5-3-15)25(33)32-18-8-10-30-11-9-18;1-14(21-18(25)8-9-19(27)22(21)26)33-20-12-17(13-31-23(20)28)15-4-6-16(7-5-15)24(32)30-11-3-10-29-2;1-13(20-17(24)7-8-18(26)21(20)25)32-19-11-16(12-30-22(19)28)14-3-5-15(6-4-14)23(31)29-10-2-9-27/h6-11,14-16H,5,12-13H2,1-4H3,(H2,30,31);2-7,12-14,18,30H,8-11H2,1H3,(H2,29,31)(H,32,33);4-9,12-14,29H,3,10-11H2,1-2H3,(H2,28,31)(H,30,32);3-8,11-13H,2,9-10,27H2,1H3,(H2,28,30)(H,29,31)
• InChIKey: LYORBMAUYUJMLT-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 353.49 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1991.61
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide?

The IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide (CID 159494219) is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide.

What is the SMILES notation for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide?

The canonical SMILES for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide is CC(Oc1cc(-c2ccc(C(=O)N(C)CCCN(C)C)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2ccc(C(=O)NC3CCNCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2ccc(C(=O)NCCCN)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.CNCCCNC(=O)c1ccc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cc1.

What is the InChIKey of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide?

The InChIKey is LYORBMAUYUJMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2FN4O2.C25H25Cl2FN4O2.C24H25Cl2FN4O2.C23H23Cl2FN4O2/c1-16(23-20(27)10-11-21(29)24(23)28)35-22-14-19(15-31-25(22)30)17-6-8-18(9-7-17)26(34)33(4)13-5-12-32(2)3;1-14(22-19(26)6-7-20(28)23(22)27)34-21-12-17(13-31-24(21)29)15-2-4-16(5-3-15)25(33)32-18-8-10-30-11-9-18;1-14(21-18(25)8-9-19(27)22(21)26)33-20-12-17(13-31-23(20)28)15-4-6-16(7-5-15)24(32)30-11-3-10-29-2;1-13(20-17(24)7-8-18(26)21(20)25)32-19-11-16(12-30-22(19)28)14-3-5-15(6-4-14)23(31)29-10-2-9-27/h6-11,14-16H,5,12-13H2,1-4H3,(H2,30,31);2-7,12-14,18,30H,8-11H2,1H3,(H2,29,31)(H,32,33);4-9,12-14,29H,3,10-11H2,1-2H3,(H2,28,31)(H,30,32);3-8,11-13H,2,9-10,27H2,1H3,(H2,28,30)(H,29,31).

What are the key properties of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide?

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide has a molecular weight of 1991.61 g/mol, XLogP of 21.59, 32 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-aminopropyl)benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(dimethylamino)propyl]-N-methylbenzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[3-(methylamino)propyl]benzamide;4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 159494219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).