4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine

C108H96Br4N32O10 — CID 159443447

IUPAC4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine
SMILESBrc1ccnc(Br)c1.Brc1ccnc(Nc2cnccn2)c1.CC(=O)Nc1ccc(-c2ccnc(N(Cc3ccc(C(=O)NO)cc3)c3cnccn3)c2)cn1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccc(N)nc3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccc(NC(C)=O)nc3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(Br)ccn2)cc1.N.Nc1cnccn1
InChIInChI=1S/C25H22N6O3.C24H21N7O3.C23H20N6O2.C18H15BrN4O2.C9H7BrN4.C5H3Br2N.C4H5N3.H3N/c1-17(32)30-22-8-7-21(14-29-22)20-9-10-27-23(13-20)31(24-15-26-11-12-28-24)16-18-3-5-19(6-4-18)25(33)34-2;1-16(32)29-21-7-6-20(13-28-21)19-8-9-26-22(12-19)31(23-14-25-10-11-27-23)15-17-2-4-18(5-3-17)24(33)30-34;1-31-23(30)17-4-2-16(3-5-17)15-29(22-14-25-10-11-27-22)21-12-18(8-9-26-21)19-6-7-20(24)28-13-19;1-25-18(24)14-4-2-13(3-5-14)12-23(17-11-20-8-9-22-17)16-10-15(19)6-7-21-16;10-7-1-2-12-8(5-7)14-9-6-11-3-4-13-9;6-4-1-2-8-5(7)3-4;5-4-3-6-1-2-7-4;/h3-15H,16H2,1-2H3,(H,29,30,32);2-14,34H,15H2,1H3,(H,30,33)(H,28,29,32);2-14H,15H2,1H3,(H2,24,28);2-11H,12H2,1H3;1-6H,(H,12,13,14);1-3H;1-3H,(H2,5,7);1H3
InChIKeyYKXJBBRKJSQANF-UHFFFAOYSA-N
MW2321.79 g/mol
LogP19.97
Rot. Bonds27

About 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine

4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine (PubChem CID 159443447) has the molecular formula C108H96Br4N32O10 and a molecular weight of 2321.79 g/mol. Its IUPAC name is 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine.

Molecular Properties

Compound Name4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine
PubChem CID159443447
Molecular FormulaC108H96Br4N32O10
Molecular Weight2321.79 g/mol
Exact Mass2316.47
IUPAC Name4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine
SMILESBrc1ccnc(Br)c1.Brc1ccnc(Nc2cnccn2)c1.CC(=O)Nc1ccc(-c2ccnc(N(Cc3ccc(C(=O)NO)cc3)c3cnccn3)c2)cn1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccc(N)nc3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccc(NC(C)=O)nc3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(Br)ccn2)cc1.N.Nc1cnccn1
InChIInChI=1S/C25H22N6O3.C24H21N7O3.C23H20N6O2.C18H15BrN4O2.C9H7BrN4.C5H3Br2N.C4H5N3.H3N/c1-17(32)30-22-8-7-21(14-29-22)20-9-10-27-23(13-20)31(24-15-26-11-12-28-24)16-18-3-5-19(6-4-18)25(33)34-2;1-16(32)29-21-7-6-20(13-28-21)19-8-9-26-22(12-19)31(23-14-25-10-11-27-23)15-17-2-4-18(5-3-17)24(33)30-34;1-31-23(30)17-4-2-16(3-5-17)15-29(22-14-25-10-11-27-22)21-12-18(8-9-26-21)19-6-7-20(24)28-13-19;1-25-18(24)14-4-2-13(3-5-14)12-23(17-11-20-8-9-22-17)16-10-15(19)6-7-21-16;10-7-1-2-12-8(5-7)14-9-6-11-3-4-13-9;6-4-1-2-8-5(7)3-4;5-4-3-6-1-2-7-4;/h3-15H,16H2,1-2H3,(H,29,30,32);2-14,34H,15H2,1H3,(H,30,33)(H,28,29,32);2-14H,15H2,1H3,(H2,24,28);2-11H,12H2,1H3;1-6H,(H,12,13,14);1-3H;1-3H,(H2,5,7);1H3
InChIKeyYKXJBBRKJSQANF-UHFFFAOYSA-N
XLogP19.97
TPSA569.15 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds27
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002321.79
LogP ≤ 519.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine?
The IUPAC name of 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine (CID 159443447) is 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine.
What is the SMILES notation for 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine?
The canonical SMILES for 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine is Brc1ccnc(Br)c1.Brc1ccnc(Nc2cnccn2)c1.CC(=O)Nc1ccc(-c2ccnc(N(Cc3ccc(C(=O)NO)cc3)c3cnccn3)c2)cn1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccc(N)nc3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccc(NC(C)=O)nc3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(Br)ccn2)cc1.N.Nc1cnccn1.
What is the InChIKey of 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine?
The InChIKey is YKXJBBRKJSQANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3.C24H21N7O3.C23H20N6O2.C18H15BrN4O2.C9H7BrN4.C5H3Br2N.C4H5N3.H3N/c1-17(32)30-22-8-7-21(14-29-22)20-9-10-27-23(13-20)31(24-15-26-11-12-28-24)16-18-3-5-19(6-4-18)25(33)34-2;1-16(32)29-21-7-6-20(13-28-21)19-8-9-26-22(12-19)31(23-14-25-10-11-27-23)15-17-2-4-18(5-3-17)24(33)30-34;1-31-23(30)17-4-2-16(3-5-17)15-29(22-14-25-10-11-27-22)21-12-18(8-9-26-21)19-6-7-20(24)28-13-19;1-25-18(24)14-4-2-13(3-5-14)12-23(17-11-20-8-9-22-17)16-10-15(19)6-7-21-16;10-7-1-2-12-8(5-7)14-9-6-11-3-4-13-9;6-4-1-2-8-5(7)3-4;5-4-3-6-1-2-7-4;/h3-15H,16H2,1-2H3,(H,29,30,32);2-14,34H,15H2,1H3,(H,30,33)(H,28,29,32);2-14H,15H2,1H3,(H2,24,28);2-11H,12H2,1H3;1-6H,(H,12,13,14);1-3H;1-3H,(H2,5,7);1H3.
What are the key properties of 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine?
4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine has a molecular weight of 2321.79 g/mol, XLogP of 19.97, 27 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;azane;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine is sourced from PubChem (CID 159443447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).