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

C53H56N18O7 — CID 159291502

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

5-[5-amino-6-[3-[3-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine (PubChem CID 159291502) has the molecular formula C53H56N18O7 and a molecular weight of 1057.15 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[3-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[5-amino-6-[3-[3-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine
• PubChem CID: 159291502
• Molecular Formula: C53H56N18O7
• Molecular Weight: 1057.15 g/mol
• Exact Mass: 1056.46
• IUPAC Name: 5-[5-amino-6-[3-[3-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine
• SMILES: CN(C)c1cccnc1CCC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ncco2)nc1N.CN(C)c1cccnc1CN.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.[C-]#[N+]c1ncccc1N(C)C
• InChI: InChI=1S/C23H23N7O3.C14H11N5O4.C8H9N3.C8H13N3/c1-29(2)16-5-4-10-25-15(16)7-8-17(31)20-22(24)28-21(23-26-11-12-33-23)19(27-20)14-6-9-18(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;1-9-8-7(11(2)3)5-4-6-10-8;1-11(2)8-4-3-5-10-7(8)6-9/h4-6,9-13H,7-8H2,1-3H3,(H2,24,28);2-6H,1H3,(H2,15,18)(H,21,22);4-6H,2-3H3;3-5H,6,9H2,1-2H3
• InChIKey: LAEMKYHJMPHVEB-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 332.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.15
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[5-amino-6-[3-[3-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine (CID 159291502) is 5-[5-amino-6-[3-[3-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine.

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

The canonical SMILES for 5-[5-amino-6-[3-[3-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine is CN(C)c1cccnc1CCC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ncco2)nc1N.CN(C)c1cccnc1CN.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.[C-]#[N+]c1ncccc1N(C)C.

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

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

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

5-[5-amino-6-[3-[3-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine has a molecular weight of 1057.15 g/mol, XLogP of 5.44, 13 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-amino-6-[3-[3-(dimethylamino)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 159291502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).