6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C14H21N5O — CID 119499985

IUPAC6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCNCCNC(=O)c1cc(C)nc2c1cnn2C(C)C
InChIInChI=1S/C14H21N5O/c1-9(2)19-13-12(8-17-19)11(7-10(3)18-13)14(20)16-6-5-15-4/h7-9,15H,5-6H2,1-4H3,(H,16,20)
InChIKeyLGEUTRMBQRQLQD-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.27
Rot. Bonds5

About 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 119499985) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID119499985
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCNCCNC(=O)c1cc(C)nc2c1cnn2C(C)C
InChIInChI=1S/C14H21N5O/c1-9(2)19-13-12(8-17-19)11(7-10(3)18-13)14(20)16-6-5-15-4/h7-9,15H,5-6H2,1-4H3,(H,16,20)
InChIKeyLGEUTRMBQRQLQD-UHFFFAOYSA-N
XLogP1.27
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 119499985) is 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is CNCCNC(=O)c1cc(C)nc2c1cnn2C(C)C.
What is the InChIKey of 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is LGEUTRMBQRQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9(2)19-13-12(8-17-19)11(7-10(3)18-13)14(20)16-6-5-15-4/h7-9,15H,5-6H2,1-4H3,(H,16,20).
What are the key properties of 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119499985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).