N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide

C21H25N5O2 — CID 51335183

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C21H25N5O2/c1-6-15-9-7-8-10-17(15)23-18(27)12-25(4)21(28)16-11-13(2)22-20-19(16)14(3)24-26(20)5/h7-11H,6,12H2,1-5H3,(H,23,27)
InChIKeyQNYBVKWSQGIWSC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51335183) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51335183
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C21H25N5O2/c1-6-15-9-7-8-10-17(15)23-18(27)12-25(4)21(28)16-11-13(2)22-20-19(16)14(3)24-26(20)5/h7-11H,6,12H2,1-5H3,(H,23,27)
InChIKeyQNYBVKWSQGIWSC-UHFFFAOYSA-N
XLogP2.86
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 51335183) is N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)nc2c1c(C)nn2C.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is QNYBVKWSQGIWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-6-15-9-7-8-10-17(15)23-18(27)12-25(4)21(28)16-11-13(2)22-20-19(16)14(3)24-26(20)5/h7-11H,6,12H2,1-5H3,(H,23,27).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51335183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).