2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

C156H137N17O17 — CID 158220906

About 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 158220906) has the molecular formula C156H137N17O17 and a molecular weight of 2521.91 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

• Compound Name: 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
• PubChem CID: 158220906
• Molecular Formula: C156H137N17O17
• Molecular Weight: 2521.91 g/mol
• Exact Mass: 2520.04
• IUPAC Name: 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
• SMILES: CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3C(=O)O)c2)c1)c1ccccc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1c(C)n(Cc2ccc(-c3ccccn3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3cccnc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccncc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12
• InChI: InChI=1S/C32H28N2O3.3C31H28N4O3.C31H25N3O5/c1-2-29(23-10-4-3-5-11-23)33-31(35)26-15-16-30-25(20-26)17-18-34(30)21-22-9-8-12-24(19-22)27-13-6-7-14-28(27)32(36)37;1-20-22(3)34(19-23-4-6-25(7-5-23)26-14-16-32-17-15-26)30-13-10-27(18-29(20)30)31(36)33-21(2)24-8-11-28(12-9-24)35(37)38;1-20-22(3)34(19-23-6-8-25(9-7-23)27-5-4-16-32-18-27)30-15-12-26(17-29(20)30)31(36)33-21(2)24-10-13-28(14-11-24)35(37)38;1-20-22(3)34(19-23-7-9-25(10-8-23)29-6-4-5-17-32-29)30-16-13-26(18-28(20)30)31(36)33-21(2)24-11-14-27(15-12-24)35(37)38;1-20(22-10-13-26(14-11-22)34(38)39)32-30(35)25-12-15-29-24(18-25)16-17-33(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37/h3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);3*4-18,21H,19H2,1-3H3,(H,33,36);2-18,20H,19H2,1H3,(H,32,35)(H,36,37)/t;3*21-;20-/m.0000/s1
• InChIKey: GDFPKNIGOQFNJH-VLKJKEOESA-N
• XLogP: 33.69
• TPSA: 455.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2521.91
LogP ≤ 5	33.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?

The IUPAC name of 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid (CID 158220906) is 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.

What is the SMILES notation for 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?

The canonical SMILES for 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid is CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3C(=O)O)c2)c1)c1ccccc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1c(C)n(Cc2ccc(-c3ccccn3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3cccnc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccncc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.

What is the InChIKey of 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?

The InChIKey is GDFPKNIGOQFNJH-VLKJKEOESA-N. The full InChI is InChI=1S/C32H28N2O3.3C31H28N4O3.C31H25N3O5/c1-2-29(23-10-4-3-5-11-23)33-31(35)26-15-16-30-25(20-26)17-18-34(30)21-22-9-8-12-24(19-22)27-13-6-7-14-28(27)32(36)37;1-20-22(3)34(19-23-4-6-25(7-5-23)26-14-16-32-17-15-26)30-13-10-27(18-29(20)30)31(36)33-21(2)24-8-11-28(12-9-24)35(37)38;1-20-22(3)34(19-23-6-8-25(9-7-23)27-5-4-16-32-18-27)30-15-12-26(17-29(20)30)31(36)33-21(2)24-10-13-28(14-11-24)35(37)38;1-20-22(3)34(19-23-7-9-25(10-8-23)29-6-4-5-17-32-29)30-16-13-26(18-28(20)30)31(36)33-21(2)24-11-14-27(15-12-24)35(37)38;1-20(22-10-13-26(14-11-22)34(38)39)32-30(35)25-12-15-29-24(18-25)16-17-33(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37/h3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);3*4-18,21H,19H2,1-3H3,(H,33,36);2-18,20H,19H2,1H3,(H,32,35)(H,36,37)/t;3*21-;20-/m.0000/s1.

What are the key properties of 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?

2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 2521.91 g/mol, XLogP of 33.69, 37 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 158220906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).