2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid

C119H103Br2Cl2N15O18S6 — CID 160641884

About 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid

2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid (PubChem CID 160641884) has the molecular formula C119H103Br2Cl2N15O18S6 and a molecular weight of 2454.34 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid
• PubChem CID: 160641884
• Molecular Formula: C119H103Br2Cl2N15O18S6
• Molecular Weight: 2454.34 g/mol
• Exact Mass: 2449.37
• IUPAC Name: 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid
• SMILES: Cc1cccc(C(=O)Nc2csc(-c3cnc(N4CCCCC4)nc3C)c2C(=O)O)c1.Cc1cccc(C(=O)Nc2csc(-c3cnccn3)c2C(=O)O)c1.Cc1cccc(CCC(=O)Nc2csc(-c3ccc(Br)nc3)c2C(=O)O)c1.Cc1cccc(CCC(=O)Nc2csc(-c3ccc(Cl)nc3)c2C(=O)O)c1.Cc1cccc(CCC(=O)Nc2csc(-c3cccc(Br)n3)c2C(=O)O)c1.O=C(CCc1ccccc1)Nc1csc(-c2ccc(Cl)nc2)c1C(=O)O
• InChI: InChI=1S/C23H24N4O3S.2C20H17BrN2O3S.C20H17ClN2O3S.C19H15ClN2O3S.C17H13N3O3S/c1-14-7-6-8-16(11-14)21(28)26-18-13-31-20(19(18)22(29)30)17-12-24-23(25-15(17)2)27-9-4-3-5-10-27;1-12-4-2-5-13(10-12)8-9-17(24)23-15-11-27-19(18(15)20(25)26)14-6-3-7-16(21)22-14;2*1-12-3-2-4-13(9-12)5-8-17(24)23-15-11-27-19(18(15)20(25)26)14-6-7-16(21)22-10-14;20-15-8-7-13(10-21-15)18-17(19(24)25)14(11-26-18)22-16(23)9-6-12-4-2-1-3-5-12;1-10-3-2-4-11(7-10)16(21)20-13-9-24-15(14(13)17(22)23)12-8-18-5-6-19-12/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,26,28)(H,29,30);2-7,10-11H,8-9H2,1H3,(H,23,24)(H,25,26);2*2-4,6-7,9-11H,5,8H2,1H3,(H,23,24)(H,25,26);1-5,7-8,10-11H,6,9H2,(H,22,23)(H,24,25);2-9H,1H3,(H,20,21)(H,22,23)
• InChIKey: RJHAGAIRJBAVLE-UHFFFAOYSA-N
• XLogP: 28.30
• TPSA: 504.76 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2454.34
LogP ≤ 5	28.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid?

The IUPAC name of 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid (CID 160641884) is 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid.

What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid?

The canonical SMILES for 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid is Cc1cccc(C(=O)Nc2csc(-c3cnc(N4CCCCC4)nc3C)c2C(=O)O)c1.Cc1cccc(C(=O)Nc2csc(-c3cnccn3)c2C(=O)O)c1.Cc1cccc(CCC(=O)Nc2csc(-c3ccc(Br)nc3)c2C(=O)O)c1.Cc1cccc(CCC(=O)Nc2csc(-c3ccc(Cl)nc3)c2C(=O)O)c1.Cc1cccc(CCC(=O)Nc2csc(-c3cccc(Br)n3)c2C(=O)O)c1.O=C(CCc1ccccc1)Nc1csc(-c2ccc(Cl)nc2)c1C(=O)O.

What is the InChIKey of 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid?

The InChIKey is RJHAGAIRJBAVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S.2C20H17BrN2O3S.C20H17ClN2O3S.C19H15ClN2O3S.C17H13N3O3S/c1-14-7-6-8-16(11-14)21(28)26-18-13-31-20(19(18)22(29)30)17-12-24-23(25-15(17)2)27-9-4-3-5-10-27;1-12-4-2-5-13(10-12)8-9-17(24)23-15-11-27-19(18(15)20(25)26)14-6-3-7-16(21)22-14;2*1-12-3-2-4-13(9-12)5-8-17(24)23-15-11-27-19(18(15)20(25)26)14-6-7-16(21)22-10-14;20-15-8-7-13(10-21-15)18-17(19(24)25)14(11-26-18)22-16(23)9-6-12-4-2-1-3-5-12;1-10-3-2-4-11(7-10)16(21)20-13-9-24-15(14(13)17(22)23)12-8-18-5-6-19-12/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,26,28)(H,29,30);2-7,10-11H,8-9H2,1H3,(H,23,24)(H,25,26);2*2-4,6-7,9-11H,5,8H2,1H3,(H,23,24)(H,25,26);1-5,7-8,10-11H,6,9H2,(H,22,23)(H,24,25);2-9H,1H3,(H,20,21)(H,22,23).

What are the key properties of 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid?

2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid has a molecular weight of 2454.34 g/mol, XLogP of 28.30, 33 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-2-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-bromo-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-[3-(3-methylphenyl)propanoylamino]thiophene-3-carboxylic acid;2-(6-chloro-3-pyridinyl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-[(3-methylbenzoyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 160641884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).