3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide

C119H159Cl5N42O9 — CID 160790085

About 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide

3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide (PubChem CID 160790085) has the molecular formula C119H159Cl5N42O9 and a molecular weight of 2499.13 g/mol. Its IUPAC name is 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide
• PubChem CID: 160790085
• Molecular Formula: C119H159Cl5N42O9
• Molecular Weight: 2499.13 g/mol
• Exact Mass: 2495.17
• IUPAC Name: 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide
• SMILES: CCCCNC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(C)nc2N)CC1.CCNC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.N/C(=N\CC1(CCc2ccccc2)CCN(C(=O)Cc2ccccc2)CC1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CC1(CCc2ccccc2)CCNCC1)NC(=O)c1nc(Cl)c(N)nc1N.NCC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1
• InChI: InChI=1S/C28H33ClN8O2.C26H37ClN8O2.C23H32ClN9O2.C22H30ClN9O2.C20H27ClN8O/c29-23-25(31)35-24(30)22(34-23)26(39)36-27(32)33-18-28(12-11-19-7-3-1-4-8-19)13-15-37(16-14-28)21(38)17-20-9-5-2-6-10-20;1-3-4-14-30-25(37)35-15-12-26(13-16-35,11-10-19-8-6-5-7-9-19)17-31-24(29)34-23(36)20-22(28)32-18(2)21(27)33-20;1-2-28-22(35)33-12-10-23(11-13-33,9-8-15-6-4-3-5-7-15)14-29-21(27)32-20(34)16-18(25)31-19(26)17(24)30-16;23-17-19(26)30-18(25)16(29-17)20(34)31-21(27)28-13-22(7-6-14-4-2-1-3-5-14)8-10-32(11-9-22)15(33)12-24;21-15-17(23)28-16(22)14(27-15)18(30)29-19(24)26-12-20(8-10-25-11-9-20)7-6-13-4-2-1-3-5-13/h1-10H,11-18H2,(H4,30,31,35)(H3,32,33,36,39);5-9H,3-4,10-17H2,1-2H3,(H2,28,32)(H,30,37)(H3,29,31,34,36);3-7H,2,8-14H2,1H3,(H,28,35)(H4,25,26,31)(H3,27,29,32,34);1-5H,6-13,24H2,(H4,25,26,30)(H3,27,28,31,34);1-5,25H,6-12H2,(H4,22,23,28)(H3,24,26,29,30)
• InChIKey: SBSJTHGUVOXBDH-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 843.83 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2499.13
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide (CID 160790085) is 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide is CCCCNC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(C)nc2N)CC1.CCNC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.N/C(=N\CC1(CCc2ccccc2)CCN(C(=O)Cc2ccccc2)CC1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CC1(CCc2ccccc2)CCNCC1)NC(=O)c1nc(Cl)c(N)nc1N.NCC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.

What is the InChIKey of 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide?

The InChIKey is SBSJTHGUVOXBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN8O2.C26H37ClN8O2.C23H32ClN9O2.C22H30ClN9O2.C20H27ClN8O/c29-23-25(31)35-24(30)22(34-23)26(39)36-27(32)33-18-28(12-11-19-7-3-1-4-8-19)13-15-37(16-14-28)21(38)17-20-9-5-2-6-10-20;1-3-4-14-30-25(37)35-15-12-26(13-16-35,11-10-19-8-6-5-7-9-19)17-31-24(29)34-23(36)20-22(28)32-18(2)21(27)33-20;1-2-28-22(35)33-12-10-23(11-13-33,9-8-15-6-4-3-5-7-15)14-29-21(27)32-20(34)16-18(25)31-19(26)17(24)30-16;23-17-19(26)30-18(25)16(29-17)20(34)31-21(27)28-13-22(7-6-14-4-2-1-3-5-14)8-10-32(11-9-22)15(33)12-24;21-15-17(23)28-16(22)14(27-15)18(30)29-19(24)26-12-20(8-10-25-11-9-20)7-6-13-4-2-1-3-5-13/h1-10H,11-18H2,(H4,30,31,35)(H3,32,33,36,39);5-9H,3-4,10-17H2,1-2H3,(H2,28,32)(H,30,37)(H3,29,31,34,36);3-7H,2,8-14H2,1H3,(H,28,35)(H4,25,26,31)(H3,27,29,32,34);1-5H,6-13,24H2,(H4,25,26,30)(H3,27,28,31,34);1-5,25H,6-12H2,(H4,22,23,28)(H3,24,26,29,30).

What are the key properties of 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide?

3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide has a molecular weight of 2499.13 g/mol, XLogP of 9.78, 37 rotatable bonds, 23 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[N'-[[1-(butylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide;3,5-diamino-N-[N'-[[1-(2-aminoacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(ethylcarbamoyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[1-(2-phenylacetyl)-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide is sourced from PubChem (CID 160790085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).