2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen

C147H168N30O21 — CID 158052804

About 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen

2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen (PubChem CID 158052804) has the molecular formula C147H168N30O21 and a molecular weight of 2691.15 g/mol. Its IUPAC name is 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen.

Molecular Properties

• Compound Name: 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen
• PubChem CID: 158052804
• Molecular Formula: C147H168N30O21
• Molecular Weight: 2691.15 g/mol
• Exact Mass: 2689.30
• IUPAC Name: 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen
• SMILES: CN1CCN(CCc2ccc(N)cc2)CC1.CN1CCN(CCc2ccc(NC(=O)c3cccc(N)c3N)cc2)CC1.CN1CCN(CCc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1.COC(=O)c1cccc([N+](=O)[O-])c1N.COc1ncccc1-c1ccc(O)c(-c2nc3c(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cccc3[nH]2)c1.COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1.COc1ncccc1-c1ccc(O)c(C=O)c1.Nc1c(C(=O)O)cccc1[N+](=O)[O-].[H][H]
• InChI: InChI=1S/2C33H34N6O3.C20H25N5O3.C20H27N5O.C13H21N3.C13H11NO3.C8H8N2O4.C7H6N2O4.H2/c1-38-17-19-39(20-18-38)16-14-22-8-11-24(12-9-22)35-32(41)26-5-3-7-28-30(26)37-31(36-28)27-21-23(10-13-29(27)40)25-6-4-15-34-33(25)42-2;1-38-16-18-39(19-17-38)15-13-22-5-9-25(10-6-22)35-32(41)24-7-11-28-29(21-24)37-31(36-28)27-20-23(8-12-30(27)40)26-4-3-14-34-33(26)42-2;1-23-11-13-24(14-12-23)10-9-15-5-7-16(8-6-15)22-20(26)17-3-2-4-18(19(17)21)25(27)28;1-24-11-13-25(14-12-24)10-9-15-5-7-16(8-6-15)23-20(26)17-3-2-4-18(21)19(17)22;1-15-8-10-16(11-9-15)7-6-12-2-4-13(14)5-3-12;1-17-13-11(3-2-6-14-13)9-4-5-12(16)10(7-9)8-15;1-14-8(11)5-3-2-4-6(7(5)9)10(12)13;8-6-4(7(10)11)2-1-3-5(6)9(12)13;/h3-13,15,21,40H,14,16-20H2,1-2H3,(H,35,41)(H,36,37);3-12,14,20-21,40H,13,15-19H2,1-2H3,(H,35,41)(H,36,37);2-8H,9-14,21H2,1H3,(H,22,26);2-8H,9-14,21-22H2,1H3,(H,23,26);2-5H,6-11,14H2,1H3;2-8,16H,1H3;2-4H,9H2,1H3;1-3H,8H2,(H,10,11);1H
• InChIKey: FJRLMDJAURKPGW-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 699.42 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 41
• Rotatable Bonds: 37
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2691.15
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen?

The IUPAC name of 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen (CID 158052804) is 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen.

What is the SMILES notation for 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen?

The canonical SMILES for 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen is CN1CCN(CCc2ccc(N)cc2)CC1.CN1CCN(CCc2ccc(NC(=O)c3cccc(N)c3N)cc2)CC1.CN1CCN(CCc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1.COC(=O)c1cccc([N+](=O)[O-])c1N.COc1ncccc1-c1ccc(O)c(-c2nc3c(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cccc3[nH]2)c1.COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1.COc1ncccc1-c1ccc(O)c(C=O)c1.Nc1c(C(=O)O)cccc1[N+](=O)[O-].[H][H].

What is the InChIKey of 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen?

The InChIKey is FJRLMDJAURKPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H34N6O3.C20H25N5O3.C20H27N5O.C13H21N3.C13H11NO3.C8H8N2O4.C7H6N2O4.H2/c1-38-17-19-39(20-18-38)16-14-22-8-11-24(12-9-22)35-32(41)26-5-3-7-28-30(26)37-31(36-28)27-21-23(10-13-29(27)40)25-6-4-15-34-33(25)42-2;1-38-16-18-39(19-17-38)15-13-22-5-9-25(10-6-22)35-32(41)24-7-11-28-29(21-24)37-31(36-28)27-20-23(8-12-30(27)40)26-4-3-14-34-33(26)42-2;1-23-11-13-24(14-12-23)10-9-15-5-7-16(8-6-15)22-20(26)17-3-2-4-18(19(17)21)25(27)28;1-24-11-13-25(14-12-24)10-9-15-5-7-16(8-6-15)23-20(26)17-3-2-4-18(21)19(17)22;1-15-8-10-16(11-9-15)7-6-12-2-4-13(14)5-3-12;1-17-13-11(3-2-6-14-13)9-4-5-12(16)10(7-9)8-15;1-14-8(11)5-3-2-4-6(7(5)9)10(12)13;8-6-4(7(10)11)2-1-3-5(6)9(12)13;/h3-13,15,21,40H,14,16-20H2,1-2H3,(H,35,41)(H,36,37);3-12,14,20-21,40H,13,15-19H2,1-2H3,(H,35,41)(H,36,37);2-8H,9-14,21H2,1H3,(H,22,26);2-8H,9-14,21-22H2,1H3,(H,23,26);2-5H,6-11,14H2,1H3;2-8,16H,1H3;2-4H,9H2,1H3;1-3H,8H2,(H,10,11);1H.

What are the key properties of 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen?

2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen has a molecular weight of 2691.15 g/mol, XLogP of 19.63, 37 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-nitrobenzamide;2-amino-3-nitrobenzoic acid;2,3-diamino-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide;2-hydroxy-5-(2-methoxy-3-pyridinyl)benzaldehyde;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide;2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide;methyl 2-amino-3-nitrobenzoate;4-[2-(4-methylpiperazin-1-yl)ethyl]aniline;molecular hydrogen is sourced from PubChem (CID 158052804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).