3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C98H120Cl2FN17O5S — CID 159026108

About 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 159026108) has the molecular formula C98H120Cl2FN17O5S and a molecular weight of 1738.12 g/mol. Its IUPAC name is 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 159026108
• Molecular Formula: C98H120Cl2FN17O5S
• Molecular Weight: 1738.12 g/mol
• Exact Mass: 1735.87
• IUPAC Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cc(Cl)ccc1Cl.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(C)c1.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OCCNCCC3=CCCCC3)c2)nc2cccnc21.CCCn1c(CN(Cc2ccccc2F)C(=O)c2ccc(C)s2)nc2cccnc21
• InChI: InChI=1S/C32H45N5O2.C23H23FN4OS.C22H26Cl2N4O.C21H26N4O/c1-4-20-37-30(35-29-14-9-17-34-31(29)37)24-36(21-16-25(2)3)32(38)27-12-8-13-28(23-27)39-22-19-33-18-15-26-10-6-5-7-11-26;1-3-13-28-21(26-19-9-6-12-25-22(19)28)15-27(14-17-7-4-5-8-18(17)24)23(29)20-11-10-16(2)30-20;1-3-5-6-13-27(22(29)17-14-16(23)9-10-18(17)24)15-20-26-19-8-7-11-25-21(19)28(20)12-4-2;1-4-12-24(21(26)17-9-6-8-16(3)14-17)15-19-23-18-10-7-11-22-20(18)25(19)13-5-2/h8-10,12-14,17,23,25,33H,4-7,11,15-16,18-22,24H2,1-3H3;4-12H,3,13-15H2,1-2H3;7-11,14H,3-6,12-13,15H2,1-2H3;6-11,14H,4-5,12-13,15H2,1-3H3
• InChIKey: JUHLIRYOYWURMZ-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 225.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 38
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.12
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 159026108) is 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cc(Cl)ccc1Cl.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(C)c1.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OCCNCCC3=CCCCC3)c2)nc2cccnc21.CCCn1c(CN(Cc2ccccc2F)C(=O)c2ccc(C)s2)nc2cccnc21.

What is the InChIKey of 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is JUHLIRYOYWURMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O2.C23H23FN4OS.C22H26Cl2N4O.C21H26N4O/c1-4-20-37-30(35-29-14-9-17-34-31(29)37)24-36(21-16-25(2)3)32(38)27-12-8-13-28(23-27)39-22-19-33-18-15-26-10-6-5-7-11-26;1-3-13-28-21(26-19-9-6-12-25-22(19)28)15-27(14-17-7-4-5-8-18(17)24)23(29)20-11-10-16(2)30-20;1-3-5-6-13-27(22(29)17-14-16(23)9-10-18(17)24)15-20-26-19-8-7-11-25-21(19)28(20)12-4-2;1-4-12-24(21(26)17-9-6-8-16(3)14-17)15-19-23-18-10-7-11-22-20(18)25(19)13-5-2/h8-10,12-14,17,23,25,33H,4-7,11,15-16,18-22,24H2,1-3H3;4-12H,3,13-15H2,1-2H3;7-11,14H,3-6,12-13,15H2,1-2H3;6-11,14H,4-5,12-13,15H2,1-3H3.

What are the key properties of 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1738.12 g/mol, XLogP of 21.76, 38 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;3-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 159026108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).