1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline

C147H166BrClN26O10 — CID 159500049

About 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline

1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 159500049) has the molecular formula C147H166BrClN26O10 and a molecular weight of 2572.47 g/mol. Its IUPAC name is 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

• Compound Name: 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline
• PubChem CID: 159500049
• Molecular Formula: C147H166BrClN26O10
• Molecular Weight: 2572.47 g/mol
• Exact Mass: 2569.22
• IUPAC Name: 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline
• SMILES: C1CCNC1.C1CCOC1.CCOC(=O)c1cc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1C.CCOC(=O)c1cc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc2n1C.CN1CCC(N)CC1.CN1CCC(NC(=O)c2cc3cc(-c4cc(Nc5ccc(CN6CCCC6)cc5)c5cnccc5n4)ccc3n2C)CC1.Cn1c(C(=O)O)cc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc21.Nc1ccc(CN2CCCC2)cc1.O=[N+]([O-])c1ccc(CBr)cc1
• InChI: InChI=1S/C35H39N7O.C31H31N5O2.C29H27N5O2.C20H16ClN3O2.C11H16N2.C7H6BrNO2.C6H14N2.C4H9N.C4H8O/c1-40-17-12-28(13-18-40)38-35(43)34-20-26-19-25(7-10-33(26)41(34)2)31-21-32(29-22-36-14-11-30(29)39-31)37-27-8-5-24(6-9-27)23-42-15-3-4-16-42;1-3-38-31(37)30-17-23-16-22(8-11-29(23)35(30)2)27-18-28(25-19-32-13-12-26(25)34-27)33-24-9-6-21(7-10-24)20-36-14-4-5-15-36;1-33-27-9-6-20(14-21(27)15-28(33)29(35)36)25-16-26(23-17-30-11-10-24(23)32-25)31-22-7-4-19(5-8-22)18-34-12-2-3-13-34;1-3-26-20(25)19-9-13-8-12(4-5-18(13)24(19)2)17-10-15(21)14-11-22-7-6-16(14)23-17;12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;8-5-6-1-3-7(4-2-6)9(10)11;1-8-4-2-6(7)3-5-8;2*1-2-4-5-3-1/h5-11,14,19-22,28H,3-4,12-13,15-18,23H2,1-2H3,(H,37,39)(H,38,43);6-13,16-19H,3-5,14-15,20H2,1-2H3,(H,33,34);4-11,14-17H,2-3,12-13,18H2,1H3,(H,31,32)(H,35,36);4-11H,3H2,1-2H3;3-6H,1-2,7-9,12H2;1-4H,5H2;6H,2-5,7H2,1H3;5H,1-4H2;1-4H2
• InChIKey: LZGRIXBZLWFWSE-UHFFFAOYSA-N
• XLogP: 28.26
• TPSA: 413.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2572.47
LogP ≤ 5	28.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline?

The IUPAC name of 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline (CID 159500049) is 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline.

What is the SMILES notation for 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline?

The canonical SMILES for 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline is C1CCNC1.C1CCOC1.CCOC(=O)c1cc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1C.CCOC(=O)c1cc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc2n1C.CN1CCC(N)CC1.CN1CCC(NC(=O)c2cc3cc(-c4cc(Nc5ccc(CN6CCCC6)cc5)c5cnccc5n4)ccc3n2C)CC1.Cn1c(C(=O)O)cc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc21.Nc1ccc(CN2CCCC2)cc1.O=[N+]([O-])c1ccc(CBr)cc1.

What is the InChIKey of 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline?

The InChIKey is LZGRIXBZLWFWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7O.C31H31N5O2.C29H27N5O2.C20H16ClN3O2.C11H16N2.C7H6BrNO2.C6H14N2.C4H9N.C4H8O/c1-40-17-12-28(13-18-40)38-35(43)34-20-26-19-25(7-10-33(26)41(34)2)31-21-32(29-22-36-14-11-30(29)39-31)37-27-8-5-24(6-9-27)23-42-15-3-4-16-42;1-3-38-31(37)30-17-23-16-22(8-11-29(23)35(30)2)27-18-28(25-19-32-13-12-26(25)34-27)33-24-9-6-21(7-10-24)20-36-14-4-5-15-36;1-33-27-9-6-20(14-21(27)15-28(33)29(35)36)25-16-26(23-17-30-11-10-24(23)32-25)31-22-7-4-19(5-8-22)18-34-12-2-3-13-34;1-3-26-20(25)19-9-13-8-12(4-5-18(13)24(19)2)17-10-15(21)14-11-22-7-6-16(14)23-17;12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;8-5-6-1-3-7(4-2-6)9(10)11;1-8-4-2-6(7)3-5-8;2*1-2-4-5-3-1/h5-11,14,19-22,28H,3-4,12-13,15-18,23H2,1-2H3,(H,37,39)(H,38,43);6-13,16-19H,3-5,14-15,20H2,1-2H3,(H,33,34);4-11,14-17H,2-3,12-13,18H2,1H3,(H,31,32)(H,35,36);4-11H,3H2,1-2H3;3-6H,1-2,7-9,12H2;1-4H,5H2;6H,2-5,7H2,1H3;5H,1-4H2;1-4H2.

What are the key properties of 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline?

1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 2572.47 g/mol, XLogP of 28.26, 27 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-4-nitrobenzene;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;oxolane;pyrrolidine;4-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 159500049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).