2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide

C9H7N5O — CID 110470080

IUPAC2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESN#CCC(=O)Nc1[nH]nc2ncccc12
InChIInChI=1S/C9H7N5O/c10-4-3-7(15)12-9-6-2-1-5-11-8(6)13-14-9/h1-2,5H,3H2,(H2,11,12,13,14,15)
InChIKeyYTMRDUKTAGCHQY-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.81
Rot. Bonds2

About 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide

2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (PubChem CID 110470080) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
PubChem CID110470080
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESN#CCC(=O)Nc1[nH]nc2ncccc12
InChIInChI=1S/C9H7N5O/c10-4-3-7(15)12-9-6-2-1-5-11-8(6)13-14-9/h1-2,5H,3H2,(H2,11,12,13,14,15)
InChIKeyYTMRDUKTAGCHQY-UHFFFAOYSA-N
XLogP0.81
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110472847
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 155512356
3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472353
4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110868084
3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110866777
2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472978
1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
CID 110874440
2-cyano-N-(5-cyanoquinolin-6-yl)acetamide
CID 168521448
2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 82668146
1,3,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 110472934
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 168521739

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (CID 110470080) is 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is N#CCC(=O)Nc1[nH]nc2ncccc12.
What is the InChIKey of 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The InChIKey is YTMRDUKTAGCHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-4-3-7(15)12-9-6-2-1-5-11-8(6)13-14-9/h1-2,5H,3H2,(H2,11,12,13,14,15).
What are the key properties of 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide has a molecular weight of 201.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 110470080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).