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

C109H96Br4N30O11 — CID 158354078

IUPAC4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate
SMILESBrc1ccnc(Br)c1.Brc1ccnc(Nc2cnccn2)c1.CC(=O)Nc1cc(-c2ccnc(N(Cc3ccc(C(=O)NO)cc3)c3cnccn3)c2)ccn1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccnc(CC(C)=O)c3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccnc(N)c3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(Br)ccn2)cc1.Nc1cnccn1.O
InChIInChI=1S/C26H23N5O3.C24H21N7O3.C23H20N6O2.C18H15BrN4O2.C9H7BrN4.C5H3Br2N.C4H5N3.H2O/c1-18(32)13-23-14-21(7-9-28-23)22-8-10-29-24(15-22)31(25-16-27-11-12-30-25)17-19-3-5-20(6-4-19)26(33)34-2;1-16(32)29-21-12-19(6-8-26-21)20-7-9-27-22(13-20)31(23-14-25-10-11-28-23)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(22-14-25-10-11-28-22)21-13-19(7-9-27-21)18-6-8-26-20(24)12-18;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;/h3-12,14-16H,13,17H2,1-2H3;2-14,34H,15H2,1H3,(H,30,33)(H,26,29,32);2-14H,15H2,1H3,(H2,24,26);2-11H,12H2,1H3;1-6H,(H,12,13,14);1-3H;1-3H,(H2,5,7);1H2
InChIKeyUMXTVLFBMMQPBZ-UHFFFAOYSA-N
MW2321.78 g/mol
LogP19.16
Rot. Bonds28

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

4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate (PubChem CID 158354078) has the molecular formula C109H96Br4N30O11 and a molecular weight of 2321.78 g/mol. Its IUPAC name is 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate.

Molecular Properties

Compound Name4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate
PubChem CID158354078
Molecular FormulaC109H96Br4N30O11
Molecular Weight2321.78 g/mol
Exact Mass2316.46
IUPAC Name4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate
SMILESBrc1ccnc(Br)c1.Brc1ccnc(Nc2cnccn2)c1.CC(=O)Nc1cc(-c2ccnc(N(Cc3ccc(C(=O)NO)cc3)c3cnccn3)c2)ccn1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccnc(CC(C)=O)c3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccnc(N)c3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(Br)ccn2)cc1.Nc1cnccn1.O
InChIInChI=1S/C26H23N5O3.C24H21N7O3.C23H20N6O2.C18H15BrN4O2.C9H7BrN4.C5H3Br2N.C4H5N3.H2O/c1-18(32)13-23-14-21(7-9-28-23)22-8-10-29-24(15-22)31(25-16-27-11-12-30-25)17-19-3-5-20(6-4-19)26(33)34-2;1-16(32)29-21-12-19(6-8-26-21)20-7-9-27-22(13-20)31(23-14-25-10-11-28-23)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(22-14-25-10-11-28-22)21-13-19(7-9-27-21)18-6-8-26-20(24)12-18;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;/h3-12,14-16H,13,17H2,1-2H3;2-14,34H,15H2,1H3,(H,30,33)(H,26,29,32);2-14H,15H2,1H3,(H2,24,26);2-11H,12H2,1H3;1-6H,(H,12,13,14);1-3H;1-3H,(H2,5,7);1H2
InChIKeyUMXTVLFBMMQPBZ-UHFFFAOYSA-N
XLogP19.16
TPSA553.62 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms154
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002321.78
LogP ≤ 519.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'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-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate?
The IUPAC name of 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate (CID 158354078) is 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate.
What is the SMILES notation for 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate?
The canonical SMILES for 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate is Brc1ccnc(Br)c1.Brc1ccnc(Nc2cnccn2)c1.CC(=O)Nc1cc(-c2ccnc(N(Cc3ccc(C(=O)NO)cc3)c3cnccn3)c2)ccn1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccnc(CC(C)=O)c3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccnc(N)c3)ccn2)cc1.COC(=O)c1ccc(CN(c2cnccn2)c2cc(Br)ccn2)cc1.Nc1cnccn1.O.
What is the InChIKey of 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate?
The InChIKey is UMXTVLFBMMQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3.C24H21N7O3.C23H20N6O2.C18H15BrN4O2.C9H7BrN4.C5H3Br2N.C4H5N3.H2O/c1-18(32)13-23-14-21(7-9-28-23)22-8-10-29-24(15-22)31(25-16-27-11-12-30-25)17-19-3-5-20(6-4-19)26(33)34-2;1-16(32)29-21-12-19(6-8-26-21)20-7-9-27-22(13-20)31(23-14-25-10-11-28-23)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(22-14-25-10-11-28-22)21-13-19(7-9-27-21)18-6-8-26-20(24)12-18;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;/h3-12,14-16H,13,17H2,1-2H3;2-14,34H,15H2,1H3,(H,30,33)(H,26,29,32);2-14H,15H2,1H3,(H2,24,26);2-11H,12H2,1H3;1-6H,(H,12,13,14);1-3H;1-3H,(H2,5,7);1H2.
What are the key properties of 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate?
4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate has a molecular weight of 2321.78 g/mol, XLogP of 19.16, 28 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;methyl 4-[[[4-(2-amino-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-[2-(2-oxopropyl)-4-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;hydrate is sourced from PubChem (CID 158354078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).