5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid

C117H124N50O17 — CID 159890348

About 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid

5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 159890348) has the molecular formula C117H124N50O17 and a molecular weight of 2502.61 g/mol. Its IUPAC name is 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
• PubChem CID: 159890348
• Molecular Formula: C117H124N50O17
• Molecular Weight: 2502.61 g/mol
• Exact Mass: 2501.04
• IUPAC Name: 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
• SMILES: [H]/N=C(\N)c1ccc(CNC(=O)c2nc(N)c(C(=O)NCc3ccc(/C(N)=N/[H])cc3)nc2N)cc1.[H]/N=C(\N)c1ccc(CNC(=O)c2nc(N)c(C(=O)O)nc2N)cc1.[H]/N=C(\N)c1ccc(CNC(=O)c2nc(N)c(C(=O)O)nc2NCc2ccc(/C(N)=N/[H])cc2)cc1.[H]/N=C(\N)c1ccc(CNC(=O)c2nc(N)c(C(C)=O)nc2N)cc1.[H]/N=C(\N)c1ccc(CNC(=O)c2nc(NCc3ccc(/C(N)=N/[H])cc3)c(C(=O)O)nc2N)cc1.[H]/N=C(\N)c1ccc(CNc2nc(C(=O)O)c(NCc3ccc(/C(N)=N/[H])cc3)nc2C(=O)O)cc1
• InChI: InChI=1S/C22H24N10O2.2C22H23N9O3.C22H22N8O4.C15H17N7O2.C14H15N7O3/c23-17(24)13-5-1-11(2-6-13)9-29-21(33)15-19(27)32-16(20(28)31-15)22(34)30-10-12-3-7-14(8-4-12)18(25)26;23-17(24)13-5-1-11(2-6-13)9-28-20-16(30-19(27)15(31-20)22(33)34)21(32)29-10-12-3-7-14(8-4-12)18(25)26;23-17(24)13-5-1-11(2-6-13)9-28-20-16(22(33)34)30-19(27)15(31-20)21(32)29-10-12-3-7-14(8-4-12)18(25)26;23-17(24)13-5-1-11(2-6-13)9-27-19-15(21(31)32)30-20(16(29-19)22(33)34)28-10-12-3-7-14(8-4-12)18(25)26;1-7(23)10-13(18)22-11(14(19)21-10)15(24)20-6-8-2-4-9(5-3-8)12(16)17;15-10(16)7-3-1-6(2-4-7)5-19-13(22)8-11(17)21-9(14(23)24)12(18)20-8/h1-8H,9-10H2,(H3,23,24)(H3,25,26)(H2,28,31)(H2,27,32)(H,29,33)(H,30,34);2*1-8H,9-10H2,(H3,23,24)(H3,25,26)(H2,27,30)(H,28,31)(H,29,32)(H,33,34);1-8H,9-10H2,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)(H,31,32)(H,33,34);2-5H,6H2,1H3,(H3,16,17)(H2,18,22)(H2,19,21)(H,20,24);1-4H,5H2,(H3,15,16)(H2,17,21)(H2,18,20)(H,19,22)(H,23,24)
• InChIKey: NURCIZUYXHVECK-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 1287.83 Ų
• H-Bond Donors: 43
• H-Bond Acceptors: 46
• Rotatable Bonds: 46
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2502.61
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	43
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid?

The IUPAC name of 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid (CID 159890348) is 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid.

What is the SMILES notation for 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid?

The canonical SMILES for 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid is [H]/N=C(\N)c1ccc(CNC(=O)c2nc(N)c(C(=O)NCc3ccc(/C(N)=N/[H])cc3)nc2N)cc1.[H]/N=C(\N)c1ccc(CNC(=O)c2nc(N)c(C(=O)O)nc2N)cc1.[H]/N=C(\N)c1ccc(CNC(=O)c2nc(N)c(C(=O)O)nc2NCc2ccc(/C(N)=N/[H])cc2)cc1.[H]/N=C(\N)c1ccc(CNC(=O)c2nc(N)c(C(C)=O)nc2N)cc1.[H]/N=C(\N)c1ccc(CNC(=O)c2nc(NCc3ccc(/C(N)=N/[H])cc3)c(C(=O)O)nc2N)cc1.[H]/N=C(\N)c1ccc(CNc2nc(C(=O)O)c(NCc3ccc(/C(N)=N/[H])cc3)nc2C(=O)O)cc1.

What is the InChIKey of 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid?

The InChIKey is NURCIZUYXHVECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10O2.2C22H23N9O3.C22H22N8O4.C15H17N7O2.C14H15N7O3/c23-17(24)13-5-1-11(2-6-13)9-29-21(33)15-19(27)32-16(20(28)31-15)22(34)30-10-12-3-7-14(8-4-12)18(25)26;23-17(24)13-5-1-11(2-6-13)9-28-20-16(30-19(27)15(31-20)22(33)34)21(32)29-10-12-3-7-14(8-4-12)18(25)26;23-17(24)13-5-1-11(2-6-13)9-28-20-16(22(33)34)30-19(27)15(31-20)21(32)29-10-12-3-7-14(8-4-12)18(25)26;23-17(24)13-5-1-11(2-6-13)9-27-19-15(21(31)32)30-20(16(29-19)22(33)34)28-10-12-3-7-14(8-4-12)18(25)26;1-7(23)10-13(18)22-11(14(19)21-10)15(24)20-6-8-2-4-9(5-3-8)12(16)17;15-10(16)7-3-1-6(2-4-7)5-19-13(22)8-11(17)21-9(14(23)24)12(18)20-8/h1-8H,9-10H2,(H3,23,24)(H3,25,26)(H2,28,31)(H2,27,32)(H,29,33)(H,30,34);2*1-8H,9-10H2,(H3,23,24)(H3,25,26)(H2,27,30)(H,28,31)(H,29,32)(H,33,34);1-8H,9-10H2,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)(H,31,32)(H,33,34);2-5H,6H2,1H3,(H3,16,17)(H2,18,22)(H2,19,21)(H,20,24);1-4H,5H2,(H3,15,16)(H2,17,21)(H2,18,20)(H,19,22)(H,23,24).

What are the key properties of 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid?

5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 2502.61 g/mol, XLogP of 3.08, 46 rotatable bonds, 43 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-3,6-diamino-N-[(4-carbamimidoylphenyl)methyl]pyrazine-2-carboxamide;3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;6-amino-3-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid;3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid;3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide;3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 159890348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).