2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid

C48H52N14O7 — CID 157328046

About 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid

2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid (PubChem CID 157328046) has the molecular formula C48H52N14O7 and a molecular weight of 937.03 g/mol. Its IUPAC name is 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid
• PubChem CID: 157328046
• Molecular Formula: C48H52N14O7
• Molecular Weight: 937.03 g/mol
• Exact Mass: 936.41
• IUPAC Name: 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid
• SMILES: Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CN)CC4)n3)ccc12.Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccccn5)CC4)n3)ccc12.O=C(O)c1ccccn1
• InChI: InChI=1S/C24H25N7O3.C18H22N6O2.C6H5NO2/c1-15-18-7-6-17(13-20(18)30(2)28-15)22-27-24(34-29-22)16-8-11-31(12-9-16)21(32)14-26-23(33)19-5-3-4-10-25-19;1-11-14-4-3-13(9-15(14)23(2)21-11)17-20-18(26-22-17)12-5-7-24(8-6-12)16(25)10-19;8-6(9)5-3-1-2-4-7-5/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,26,33);3-4,9,12H,5-8,10,19H2,1-2H3;1-4H,(H,8,9)
• InChIKey: BEYOYMXAQCNLAH-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 272.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.03
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid?

The IUPAC name of 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid (CID 157328046) is 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid.

What is the SMILES notation for 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid?

The canonical SMILES for 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid is Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CN)CC4)n3)ccc12.Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccccn5)CC4)n3)ccc12.O=C(O)c1ccccn1.

What is the InChIKey of 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid?

The InChIKey is BEYOYMXAQCNLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3.C18H22N6O2.C6H5NO2/c1-15-18-7-6-17(13-20(18)30(2)28-15)22-27-24(34-29-22)16-8-11-31(12-9-16)21(32)14-26-23(33)19-5-3-4-10-25-19;1-11-14-4-3-13(9-15(14)23(2)21-11)17-20-18(26-22-17)12-5-7-24(8-6-12)16(25)10-19;8-6(9)5-3-1-2-4-7-5/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,26,33);3-4,9,12H,5-8,10,19H2,1-2H3;1-4H,(H,8,9).

What are the key properties of 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid?

2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid has a molecular weight of 937.03 g/mol, XLogP of 4.84, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid is sourced from PubChem (CID 157328046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).