acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate

C38H42N12O15 — CID 158041497

About acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate

acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate (PubChem CID 158041497) has the molecular formula C38H42N12O15 and a molecular weight of 906.82 g/mol. Its IUPAC name is acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

• Compound Name: acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate
• PubChem CID: 158041497
• Molecular Formula: C38H42N12O15
• Molecular Weight: 906.82 g/mol
• Exact Mass: 906.29
• IUPAC Name: acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate
• SMILES: CC(=O)NN.COC(=O)c1ccc(-c2nnc(C)o2)nc1.COC(=O)c1ccc(C(=O)NN)nc1.COC(=O)c1ccc(C(=O)NNC(C)=O)nc1.COC(=O)c1ccc(C(=O)O)nc1
• InChI: InChI=1S/C10H11N3O4.C10H9N3O3.C8H9N3O3.C8H7NO4.C2H6N2O/c1-6(14)12-13-9(15)8-4-3-7(5-11-8)10(16)17-2;1-6-12-13-9(16-6)8-4-3-7(5-11-8)10(14)15-2;1-14-8(13)5-2-3-6(10-4-5)7(12)11-9;1-13-8(12)5-2-3-6(7(10)11)9-4-5;1-2(5)4-3/h3-5H,1-2H3,(H,12,14)(H,13,15);3-5H,1-2H3;2-4H,9H2,1H3,(H,11,12);2-4H,1H3,(H,10,11);3H2,1H3,(H,4,5)
• InChIKey: FIKFQZISOJLDSK-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 401.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	906.82
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate?

The IUPAC name of acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate (CID 158041497) is acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate.

What is the SMILES notation for acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate?

The canonical SMILES for acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate is CC(=O)NN.COC(=O)c1ccc(-c2nnc(C)o2)nc1.COC(=O)c1ccc(C(=O)NN)nc1.COC(=O)c1ccc(C(=O)NNC(C)=O)nc1.COC(=O)c1ccc(C(=O)O)nc1.

What is the InChIKey of acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate?

The InChIKey is FIKFQZISOJLDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4.C10H9N3O3.C8H9N3O3.C8H7NO4.C2H6N2O/c1-6(14)12-13-9(15)8-4-3-7(5-11-8)10(16)17-2;1-6-12-13-9(16-6)8-4-3-7(5-11-8)10(14)15-2;1-14-8(13)5-2-3-6(10-4-5)7(12)11-9;1-13-8(12)5-2-3-6(7(10)11)9-4-5;1-2(5)4-3/h3-5H,1-2H3,(H,12,14)(H,13,15);3-5H,1-2H3;2-4H,9H2,1H3,(H,11,12);2-4H,1H3,(H,10,11);3H2,1H3,(H,4,5).

What are the key properties of acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate?

acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate has a molecular weight of 906.82 g/mol, XLogP of -0.09, 8 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 158041497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).