4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride

C140H171Cl3N16O30 — CID 158486353

About 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride

4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride (PubChem CID 158486353) has the molecular formula C140H171Cl3N16O30 and a molecular weight of 2664.35 g/mol. Its IUPAC name is 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride.

Molecular Properties

• Compound Name: 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride
• PubChem CID: 158486353
• Molecular Formula: C140H171Cl3N16O30
• Molecular Weight: 2664.35 g/mol
• Exact Mass: 2661.14
• IUPAC Name: 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 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(C)OC(=O)C(C)C)cc1OC.C=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2)cc1CO.C=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(C)OC(=O)C(C)C)cc1OC.CC(Cl)OC(=O)C(C)C.Cl.Cl.O=C=O.[H]/N=C(\N)c1ccc(CC(=O)c2cc(C=C)c(OC)cc2-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(C)OC(=O)C(C)C)cc1.[H]/N=C(\N)c1ccc(N)cc1
• InChI: InChI=1S/C35H38N4O7.C27H30N2O8.C27H30N2O7.C20H20N2O3.C17H31N3O.C7H9N3.C6H11ClO2.CO2.2ClH/c1-6-23-16-27(29(40)15-21-9-11-24(12-10-21)32(36)37)26(17-30(23)44-5)25-13-14-28(33(41)38-18-22-7-8-22)39-31(25)35(43)46-20(4)45-34(42)19(2)3;1-6-17-11-20(25(31)32)19(12-22(17)35-5)18-9-10-21(24(30)28-13-16-7-8-16)29-23(18)27(34)37-15(4)36-26(33)14(2)3;1-6-18-11-19(14-30)21(12-23(18)34-5)20-9-10-22(25(31)28-13-17-7-8-17)29-24(20)27(33)36-16(4)35-26(32)15(2)3;1-2-14-7-17(12-24)18(8-16(14)11-23)15-5-6-19(21-10-15)20(25)22-9-13-3-4-13;1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;8-6-3-1-5(2-4-6)7(9)10;1-4(2)6(8)9-5(3)7;2-1-3;;/h6,9-14,16-17,19-20,22H,1,7-8,15,18H2,2-5H3,(H3,36,37)(H,38,41);6,9-12,14-16H,1,7-8,13H2,2-5H3,(H,28,30)(H,31,32);6,9-12,14-17H,1,7-8,13H2,2-5H3,(H,28,31);2,5-8,10,12-13,23H,1,3-4,9,11H2,(H,22,25);15-16H,1-14H2,(H,18,19);1-4H,8H2,(H3,9,10);4-5H,1-3H3;;2*1H
• InChIKey: OQWGCSWADSZEIS-UHFFFAOYSA-N
• XLogP: 21.30
• TPSA: 685.25 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 48
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2664.35
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

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;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride?

The IUPAC name of 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride (CID 158486353) is 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride.

What is the SMILES notation for 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride?

The canonical SMILES for 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 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(C)OC(=O)C(C)C)cc1OC.C=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2)cc1CO.C=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(C)OC(=O)C(C)C)cc1OC.CC(Cl)OC(=O)C(C)C.Cl.Cl.O=C=O.[H]/N=C(\N)c1ccc(CC(=O)c2cc(C=C)c(OC)cc2-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(C)OC(=O)C(C)C)cc1.[H]/N=C(\N)c1ccc(N)cc1.

What is the InChIKey of 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride?

The InChIKey is OQWGCSWADSZEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O7.C27H30N2O8.C27H30N2O7.C20H20N2O3.C17H31N3O.C7H9N3.C6H11ClO2.CO2.2ClH/c1-6-23-16-27(29(40)15-21-9-11-24(12-10-21)32(36)37)26(17-30(23)44-5)25-13-14-28(33(41)38-18-22-7-8-22)39-31(25)35(43)46-20(4)45-34(42)19(2)3;1-6-17-11-20(25(31)32)19(12-22(17)35-5)18-9-10-21(24(30)28-13-16-7-8-16)29-23(18)27(34)37-15(4)36-26(33)14(2)3;1-6-18-11-19(14-30)21(12-23(18)34-5)20-9-10-22(25(31)28-13-17-7-8-17)29-24(20)27(33)36-16(4)35-26(32)15(2)3;1-2-14-7-17(12-24)18(8-16(14)11-23)15-5-6-19(21-10-15)20(25)22-9-13-3-4-13;1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;8-6-3-1-5(2-4-6)7(9)10;1-4(2)6(8)9-5(3)7;2-1-3;;/h6,9-14,16-17,19-20,22H,1,7-8,15,18H2,2-5H3,(H3,36,37)(H,38,41);6,9-12,14-16H,1,7-8,13H2,2-5H3,(H,28,30)(H,31,32);6,9-12,14-17H,1,7-8,13H2,2-5H3,(H,28,31);2,5-8,10,12-13,23H,1,3-4,9,11H2,(H,22,25);15-16H,1-14H2,(H,18,19);1-4H,8H2,(H3,9,10);4-5H,1-3H3;;2*1H.

What are the key properties of 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride?

4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride has a molecular weight of 2664.35 g/mol, XLogP of 21.30, 48 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminobenzenecarboximidamide;carbon dioxide;1-chloroethyl 2-methylpropanoate;2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;N-(cyclopropylmethyl)-5-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxamide;N,N'-dicyclohexylmorpholine-4-carboximidamide;1-(2-methylpropanoyloxy)ethyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate;1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 158486353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).