4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride

C151H194Cl3N17O30 — CID 158133434

About 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride

4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride (PubChem CID 158133434) has the molecular formula C151H194Cl3N17O30 and a molecular weight of 2833.66 g/mol. Its IUPAC name is 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride.

Molecular Properties

• Compound Name: 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride
• PubChem CID: 158133434
• Molecular Formula: C151H194Cl3N17O30
• Molecular Weight: 2833.66 g/mol
• Exact Mass: 2830.32
• IUPAC Name: 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride
• SMILES: C1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.C=Cc1cc(C(=O)O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(OC(=O)C(C)(C)C)C(C)C)cc1OC.C=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC.C=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(OC(=O)C(C)(C)C)C(C)C)cc1OC.CC(C)C(Cl)OC(=O)C(C)(C)C.Cl.Cl.[H]/N=C(\N)c1ccc(N)cc1.[H]/N=C(\N)c1ccc(NC(=O)c2cc(C=C)c(OC)cc2-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(OC(=O)C(C)(C)C)C(C)C)cc1
• InChI: InChI=1S/C37H43N5O7.C30H36N2O8.C30H36N2O7.C21H20N2O5.C17H31N3O.C9H17ClO2.C7H9N3.2ClH/c1-8-22-17-27(32(43)41-24-13-11-23(12-14-24)31(38)39)26(18-29(22)47-7)25-15-16-28(33(44)40-19-21-9-10-21)42-30(25)34(45)48-35(20(2)3)49-36(46)37(4,5)6;1-8-18-13-21(26(34)35)20(14-23(18)38-7)19-11-12-22(25(33)31-15-17-9-10-17)32-24(19)27(36)39-28(16(2)3)40-29(37)30(4,5)6;1-8-19-13-20(16-33)22(14-24(19)37-7)21-11-12-23(26(34)31-15-18-9-10-18)32-25(21)27(35)38-28(17(2)3)39-29(36)30(4,5)6;1-3-13-8-14(11-24)16(9-18(13)28-2)15-6-7-17(23-19(15)21(26)27)20(25)22-10-12-4-5-12;1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;1-6(2)7(10)12-8(11)9(3,4)5;8-6-3-1-5(2-4-6)7(9)10;;/h8,11-18,20-21,35H,1,9-10,19H2,2-7H3,(H3,38,39)(H,40,44)(H,41,43);8,11-14,16-17,28H,1,9-10,15H2,2-7H3,(H,31,33)(H,34,35);8,11-14,16-18,28H,1,9-10,15H2,2-7H3,(H,31,34);3,6-9,11-12H,1,4-5,10H2,2H3,(H,22,25)(H,26,27);15-16H,1-14H2,(H,18,19);6-7H,1-5H3;1-4H,8H2,(H3,9,10);2*1H
• InChIKey: AICZPKCAPPHPDI-UHFFFAOYSA-N
• XLogP: 26.03
• TPSA: 689.44 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 48
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2833.66
LogP ≤ 5	26.03
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride?

The IUPAC name of 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride (CID 158133434) is 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride.

What is the SMILES notation for 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride?

The canonical SMILES for 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride is C1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.C=Cc1cc(C(=O)O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(OC(=O)C(C)(C)C)C(C)C)cc1OC.C=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC.C=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(OC(=O)C(C)(C)C)C(C)C)cc1OC.CC(C)C(Cl)OC(=O)C(C)(C)C.Cl.Cl.[H]/N=C(\N)c1ccc(N)cc1.[H]/N=C(\N)c1ccc(NC(=O)c2cc(C=C)c(OC)cc2-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(OC(=O)C(C)(C)C)C(C)C)cc1.

What is the InChIKey of 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride?

The InChIKey is AICZPKCAPPHPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N5O7.C30H36N2O8.C30H36N2O7.C21H20N2O5.C17H31N3O.C9H17ClO2.C7H9N3.2ClH/c1-8-22-17-27(32(43)41-24-13-11-23(12-14-24)31(38)39)26(18-29(22)47-7)25-15-16-28(33(44)40-19-21-9-10-21)42-30(25)34(45)48-35(20(2)3)49-36(46)37(4,5)6;1-8-18-13-21(26(34)35)20(14-23(18)38-7)19-11-12-22(25(33)31-15-17-9-10-17)32-24(19)27(36)39-28(16(2)3)40-29(37)30(4,5)6;1-8-19-13-20(16-33)22(14-24(19)37-7)21-11-12-23(26(34)31-15-18-9-10-18)32-25(21)27(35)38-28(17(2)3)39-29(36)30(4,5)6;1-3-13-8-14(11-24)16(9-18(13)28-2)15-6-7-17(23-19(15)21(26)27)20(25)22-10-12-4-5-12;1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;1-6(2)7(10)12-8(11)9(3,4)5;8-6-3-1-5(2-4-6)7(9)10;;/h8,11-18,20-21,35H,1,9-10,19H2,2-7H3,(H3,38,39)(H,40,44)(H,41,43);8,11-14,16-17,28H,1,9-10,15H2,2-7H3,(H,31,33)(H,34,35);8,11-14,16-18,28H,1,9-10,15H2,2-7H3,(H,31,34);3,6-9,11-12H,1,4-5,10H2,2H3,(H,22,25)(H,26,27);15-16H,1-14H2,(H,18,19);6-7H,1-5H3;1-4H,8H2,(H3,9,10);2*1H.

What are the key properties of 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride?

4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride has a molecular weight of 2833.66 g/mol, XLogP of 26.03, 48 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminobenzenecarboximidamide;(1-chloro-2-methylpropyl) 2,2-dimethylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonyl-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylic acid;N,N'-dicyclohexylmorpholine-4-carboximidamide;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 158133434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).