5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane

C62H67BrN20O7 — CID 159382525

About 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane

5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane (PubChem CID 159382525) has the molecular formula C62H67BrN20O7 and a molecular weight of 1284.25 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane.

Molecular Properties

• Compound Name: 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane
• PubChem CID: 159382525
• Molecular Formula: C62H67BrN20O7
• Molecular Weight: 1284.25 g/mol
• Exact Mass: 1282.47
• IUPAC Name: 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane
• SMILES: CCC.CN(C)c1cccc(CCC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1.CN(C)c1cccc(CN)n1.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.[C-]#[N+]c1cccc(Br)n1.[C-]#[N+]c1cccc(N(C)C)n1
• InChI: InChI=1S/C23H23N7O3.C14H11N5O4.C8H9N3.C8H13N3.C6H3BrN2.C3H8/c1-29(2)17-6-4-5-15(26-17)8-9-16(31)20-22(24)28-21(23-25-11-12-33-23)19(27-20)14-7-10-18(32)30(3)13-14;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;1-9-7-5-4-6-8(10-7)11(2)3;1-11(2)8-5-3-4-7(6-9)10-8;1-8-6-4-2-3-5(7)9-6;1-3-2/h4-7,10-13H,8-9H2,1-3H3,(H2,24,28);2-6H,1H3,(H2,15,18)(H,21,22);4-6H,2-3H3;3-5H,6,9H2,1-2H3;2-4H;3H2,1-2H3
• InChIKey: LLCCRHHWHROLNQ-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 350.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1284.25
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane?

The IUPAC name of 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane (CID 159382525) is 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane.

What is the SMILES notation for 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane?

The canonical SMILES for 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane is CCC.CN(C)c1cccc(CCC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1.CN(C)c1cccc(CN)n1.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.[C-]#[N+]c1cccc(Br)n1.[C-]#[N+]c1cccc(N(C)C)n1.

What is the InChIKey of 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane?

The InChIKey is LLCCRHHWHROLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3.C14H11N5O4.C8H9N3.C8H13N3.C6H3BrN2.C3H8/c1-29(2)17-6-4-5-15(26-17)8-9-16(31)20-22(24)28-21(23-25-11-12-33-23)19(27-20)14-7-10-18(32)30(3)13-14;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;1-9-7-5-4-6-8(10-7)11(2)3;1-11(2)8-5-3-4-7(6-9)10-8;1-8-6-4-2-3-5(7)9-6;1-3-2/h4-7,10-13H,8-9H2,1-3H3,(H2,24,28);2-6H,1H3,(H2,15,18)(H,21,22);4-6H,2-3H3;3-5H,6,9H2,1-2H3;2-4H;3H2,1-2H3.

What are the key properties of 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane?

5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane has a molecular weight of 1284.25 g/mol, XLogP of 9.25, 13 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N,N-dimethylpyridin-2-amine;propane is sourced from PubChem (CID 159382525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).