4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine

C50H48IN21O4 — CID 157318028

IUPAC4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine
SMILESC.COC(=O)c1ccc(CN(c2cnccn2)c2cnccn2)cc1.Ic1cnccn1.Nc1cnccn1.O=C(NO)c1ccc(CN(c2cnccn2)c2cnccn2)cc1.c1cnc(Nc2cnccn2)cn1
InChIInChI=1S/C17H15N5O2.C16H14N6O2.C8H7N5.C4H3IN2.C4H5N3.CH4/c1-24-17(23)14-4-2-13(3-5-14)12-22(15-10-18-6-8-20-15)16-11-19-7-9-21-16;23-16(21-24)13-3-1-12(2-4-13)11-22(14-9-17-5-7-19-14)15-10-18-6-8-20-15;1-3-11-7(5-9-1)13-8-6-10-2-4-12-8;2*5-4-3-6-1-2-7-4;/h2-11H,12H2,1H3;1-10,24H,11H2,(H,21,23);1-6H,(H,11,12,13);1-3H;1-3H,(H2,5,7);1H4
InChIKeyBDVKLZXLECRPRW-UHFFFAOYSA-N
MW1133.98 g/mol
LogP6.90
Rot. Bonds12

About 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine

4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine (PubChem CID 157318028) has the molecular formula C50H48IN21O4 and a molecular weight of 1133.98 g/mol. Its IUPAC name is 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine
PubChem CID157318028
Molecular FormulaC50H48IN21O4
Molecular Weight1133.98 g/mol
Exact Mass1133.32
IUPAC Name4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine
SMILESC.COC(=O)c1ccc(CN(c2cnccn2)c2cnccn2)cc1.Ic1cnccn1.Nc1cnccn1.O=C(NO)c1ccc(CN(c2cnccn2)c2cnccn2)cc1.c1cnc(Nc2cnccn2)cn1
InChIInChI=1S/C17H15N5O2.C16H14N6O2.C8H7N5.C4H3IN2.C4H5N3.CH4/c1-24-17(23)14-4-2-13(3-5-14)12-22(15-10-18-6-8-20-15)16-11-19-7-9-21-16;23-16(21-24)13-3-1-12(2-4-13)11-22(14-9-17-5-7-19-14)15-10-18-6-8-20-15;1-3-11-7(5-9-1)13-8-6-10-2-4-12-8;2*5-4-3-6-1-2-7-4;/h2-11H,12H2,1H3;1-10,24H,11H2,(H,21,23);1-6H,(H,11,12,13);1-3H;1-3H,(H2,5,7);1H4
InChIKeyBDVKLZXLECRPRW-UHFFFAOYSA-N
XLogP6.90
TPSA326.40 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.98
LogP ≤ 56.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine with MolForge

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Related Compounds

Methyl 4-({[1-(pyrazin-2-yl)piperidin-4-yl]methyl}carbamoyl)benzoate
CID 71786577
Methyl 4-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]benzoate;methyl 4-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]benzoate
CID 67671879
Methyl 4-[[[4-(2-acetamido-4-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate
CID 121314669
ethane;N-hydroxy-4-[[pyrazin-2-yl(pyridazin-3-yl)amino]methyl]benzamide;2-iodopyrazine;methyl 4-[[pyrazin-2-yl(pyridazin-3-yl)amino]methyl]benzoate;N-pyrazin-2-ylpyridazin-3-amine;pyridazin-3-amine
CID 157375233
ethane;N-hydroxy-4-[[(6-methylpyrazin-2-yl)-pyrazin-2-ylamino]methyl]benzamide;2-iodopyrazine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(6-methylpyrazin-2-yl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-(2-pyrazin-2-ylethyl)benzoate
CID 157448233
2-bromopyridine;N-hydroxy-4-[[pyrazin-2-yl(pyridin-2-yl)amino]methyl]benzamide;methane;methyl 4-[[pyrazin-2-yl(pyridin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyridin-2-ylpyrazin-2-amine
CID 157831866
CID 157831987
CID 157831987
CID 157903132
CID 157903132
3-fluoro-N-hydroxy-4-[[pyrazin-2-yl(pyrimidin-4-yl)amino]methyl]benzamide;2-iodopyrazine;methane;methyl 3-fluoro-4-[[pyrazin-2-yl(pyrimidin-4-yl)amino]methyl]benzoate;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine
CID 158019698
CID 158149619
CID 158149619
ethane;N-hydroxy-4-[[(6-methylpyrazin-2-yl)-pyrazin-2-ylamino]methyl]benzamide;2-iodopyrazine;methyl 5-(aminomethyl)pyrazine-2-carboxylate;methyl 4-[[(6-methylpyrazin-2-yl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-(2-pyrazin-2-ylethyl)benzoate
CID 158393480
2-chloro-4-(4-fluorophenyl)pyridine;N-[4-(4-fluorophenyl)-2-pyridinyl]pyrazin-2-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-hydroxybenzamide;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine;uranium
CID 158414620

Frequently Asked Questions

What is the IUPAC name of 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine?
The IUPAC name of 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine (CID 157318028) is 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine.
What is the SMILES notation for 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine?
The canonical SMILES for 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine is C.COC(=O)c1ccc(CN(c2cnccn2)c2cnccn2)cc1.Ic1cnccn1.Nc1cnccn1.O=C(NO)c1ccc(CN(c2cnccn2)c2cnccn2)cc1.c1cnc(Nc2cnccn2)cn1.
What is the InChIKey of 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine?
The InChIKey is BDVKLZXLECRPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2.C16H14N6O2.C8H7N5.C4H3IN2.C4H5N3.CH4/c1-24-17(23)14-4-2-13(3-5-14)12-22(15-10-18-6-8-20-15)16-11-19-7-9-21-16;23-16(21-24)13-3-1-12(2-4-13)11-22(14-9-17-5-7-19-14)15-10-18-6-8-20-15;1-3-11-7(5-9-1)13-8-6-10-2-4-12-8;2*5-4-3-6-1-2-7-4;/h2-11H,12H2,1H3;1-10,24H,11H2,(H,21,23);1-6H,(H,11,12,13);1-3H;1-3H,(H2,5,7);1H4.
What are the key properties of 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine?
4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine has a molecular weight of 1133.98 g/mol, XLogP of 6.90, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide;2-iodopyrazine;methane;methyl 4-[[di(pyrazin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyrazin-2-ylpyrazin-2-amine is sourced from PubChem (CID 157318028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).