N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C20H24N4O2 — CID 86272528

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCN(CCOc1ccccc1C(C)(C)C)C(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C20H24N4O2/c1-20(2,3)15-9-5-6-10-16(15)26-13-12-24(4)19(25)17-14-8-7-11-21-18(14)23-22-17/h5-11H,12-13H2,1-4H3,(H,21,22,23)
InChIKeyQJPNNCAICFWFSP-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 86272528) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID86272528
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCN(CCOc1ccccc1C(C)(C)C)C(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C20H24N4O2/c1-20(2,3)15-9-5-6-10-16(15)26-13-12-24(4)19(25)17-14-8-7-11-21-18(14)23-22-17/h5-11H,12-13H2,1-4H3,(H,21,22,23)
InChIKeyQJPNNCAICFWFSP-UHFFFAOYSA-N
XLogP3.41
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxamide
CID 118880371
N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 160776482
1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
CID 134369259
5-(2-tert-butylphenoxy)pentan-2-one
CID 43793545
N-[2-(2-tert-butylphenoxy)ethyl]-2-[3-(1-hydroxyethenyl)-4-pyridinyl]-N-methylacetamide
CID 161451755
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
N-[2-(2-fluorophenoxy)ethyl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 60958776
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
4-[[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024082
2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 31544159

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 86272528) is N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is CN(CCOc1ccccc1C(C)(C)C)C(=O)c1[nH]nc2ncccc12.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is QJPNNCAICFWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)15-9-5-6-10-16(15)26-13-12-24(4)19(25)17-14-8-7-11-21-18(14)23-22-17/h5-11H,12-13H2,1-4H3,(H,21,22,23).
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 86272528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).