N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H25N5O2 — CID 25497145

About N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 25497145) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 25497145
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CCc1ccccc1NC(=O)CNC(=O)c1cc2cnn(C(C)C)c2nc1C
• InChI: InChI=1S/C21H25N5O2/c1-5-15-8-6-7-9-18(15)25-19(27)12-22-21(28)17-10-16-11-23-26(13(2)3)20(16)24-14(17)4/h6-11,13H,5,12H2,1-4H3,(H,22,28)(H,25,27)
• InChIKey: LOFMTGKGTVODGI-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 25497145) is N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1cc2cnn(C(C)C)c2nc1C.

What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is LOFMTGKGTVODGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-5-15-8-6-7-9-18(15)25-19(27)12-22-21(28)17-10-16-11-23-26(13(2)3)20(16)24-14(17)4/h6-11,13H,5,12H2,1-4H3,(H,22,28)(H,25,27).

What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 25497145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).