5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid

C43H46N10O14 — CID 157329503

About 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid

5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 157329503) has the molecular formula C43H46N10O14 and a molecular weight of 926.90 g/mol. Its IUPAC name is 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid
• PubChem CID: 157329503
• Molecular Formula: C43H46N10O14
• Molecular Weight: 926.90 g/mol
• Exact Mass: 926.32
• IUPAC Name: 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid
• SMILES: CC(C)c1nnc(-c2ccc(C(=O)O)cn2)o1.COC(=O)c1ccc(-c2nnc(C(C)C)o2)nc1.COC(=O)c1ccc(C(=O)NNC(=O)C(C)C)nc1.COC(=O)c1ccc(C(=O)O)nc1
• InChI: InChI=1S/C12H15N3O4.C12H13N3O3.C11H11N3O3.C8H7NO4/c1-7(2)10(16)14-15-11(17)9-5-4-8(6-13-9)12(18)19-3;1-7(2)10-14-15-11(18-10)9-5-4-8(6-13-9)12(16)17-3;1-6(2)9-13-14-10(17-9)8-4-3-7(5-12-8)11(15)16;1-13-8(12)5-2-3-6(7(10)11)9-4-5/h4-7H,1-3H3,(H,14,16)(H,15,17);4-7H,1-3H3;3-6H,1-2H3,(H,15,16);2-4H,1H3,(H,10,11)
• InChIKey: BFCSYFHZPGBUPY-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 341.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.90
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid?

The IUPAC name of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid (CID 157329503) is 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid.

What is the SMILES notation for 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid?

The canonical SMILES for 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid is CC(C)c1nnc(-c2ccc(C(=O)O)cn2)o1.COC(=O)c1ccc(-c2nnc(C(C)C)o2)nc1.COC(=O)c1ccc(C(=O)NNC(=O)C(C)C)nc1.COC(=O)c1ccc(C(=O)O)nc1.

What is the InChIKey of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid?

The InChIKey is BFCSYFHZPGBUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4.C12H13N3O3.C11H11N3O3.C8H7NO4/c1-7(2)10(16)14-15-11(17)9-5-4-8(6-13-9)12(18)19-3;1-7(2)10-14-15-11(18-10)9-5-4-8(6-13-9)12(16)17-3;1-6(2)9-13-14-10(17-9)8-4-3-7(5-12-8)11(15)16;1-13-8(12)5-2-3-6(7(10)11)9-4-5/h4-7H,1-3H3,(H,14,16)(H,15,17);4-7H,1-3H3;3-6H,1-2H3,(H,15,16);2-4H,1H3,(H,10,11).

What are the key properties of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid?

5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 926.90 g/mol, XLogP of 4.85, 11 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[(2-methylpropanoylamino)carbamoyl]pyridine-3-carboxylate;methyl 6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 157329503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).