3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate

C71H73BClF3N18O7 — CID 159921697

About 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate

3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate (PubChem CID 159921697) has the molecular formula C71H73BClF3N18O7 and a molecular weight of 1393.74 g/mol. Its IUPAC name is 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate
• PubChem CID: 159921697
• Molecular Formula: C71H73BClF3N18O7
• Molecular Weight: 1393.74 g/mol
• Exact Mass: 1392.56
• IUPAC Name: 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate
• SMILES: CN(C)c1cccc(CN)n1.COC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.Cc1cc(-c2nc(C(=O)NCc3cccc(N(C)C)n3)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(B(O)O)cc(C)n1
• InChI: InChI=1S/C26H26FN7O.C18H15FN4O2.C12H9ClFN3O2.C8H13N3.C7H10BNO2/c1-15-12-18(13-16(2)30-15)23-22(17-8-10-19(27)11-9-17)33-25(28)24(32-23)26(35)29-14-20-6-5-7-21(31-20)34(3)4;1-9-7-12(8-10(2)21-9)15-14(11-3-5-13(19)6-4-11)23-17(20)16(22-15)18(24)25;1-19-12(18)9-11(15)17-8(10(13)16-9)6-2-4-7(14)5-3-6;1-11(2)8-5-3-4-7(6-9)10-8;1-5-3-7(8(10)11)4-6(2)9-5/h5-13H,14H2,1-4H3,(H2,28,33)(H,29,35);3-8H,1-2H3,(H2,20,23)(H,24,25);2-5H,1H3,(H2,15,17);3-5H,6,9H2,1-2H3;3-4,10-11H,1-2H3
• InChIKey: NYMFFZMUAFINKV-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 385.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1393.74
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate?

The IUPAC name of 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate (CID 159921697) is 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate.

What is the SMILES notation for 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate?

The canonical SMILES for 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate is CN(C)c1cccc(CN)n1.COC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.Cc1cc(-c2nc(C(=O)NCc3cccc(N(C)C)n3)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(B(O)O)cc(C)n1.

What is the InChIKey of 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate?

The InChIKey is NYMFFZMUAFINKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O.C18H15FN4O2.C12H9ClFN3O2.C8H13N3.C7H10BNO2/c1-15-12-18(13-16(2)30-15)23-22(17-8-10-19(27)11-9-17)33-25(28)24(32-23)26(35)29-14-20-6-5-7-21(31-20)34(3)4;1-9-7-12(8-10(2)21-9)15-14(11-3-5-13(19)6-4-11)23-17(20)16(22-15)18(24)25;1-19-12(18)9-11(15)17-8(10(13)16-9)6-2-4-7(14)5-3-6;1-11(2)8-5-3-4-7(6-9)10-8;1-5-3-7(8(10)11)4-6(2)9-5/h5-13H,14H2,1-4H3,(H2,28,33)(H,29,35);3-8H,1-2H3,(H2,20,23)(H,24,25);2-5H,1H3,(H2,15,17);3-5H,6,9H2,1-2H3;3-4,10-11H,1-2H3.

What are the key properties of 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate?

3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate has a molecular weight of 1393.74 g/mol, XLogP of 9.47, 14 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 159921697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).