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

C10H12N4O — CID 6539541

IUPACN-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncccc12
InChIInChI=1S/C10H12N4O/c1-2-4-8(15)12-10-7-5-3-6-11-9(7)13-14-10/h3,5-6H,2,4H2,1H3,(H2,11,12,13,14,15)
InChIKeyXSOFTNQNMZKTLQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.70
Rot. Bonds3

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

N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide (PubChem CID 6539541) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
PubChem CID6539541
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncccc12
InChIInChI=1S/C10H12N4O/c1-2-4-8(15)12-10-7-5-3-6-11-9(7)13-14-10/h3,5-6H,2,4H2,1H3,(H2,11,12,13,14,15)
InChIKeyXSOFTNQNMZKTLQ-UHFFFAOYSA-N
XLogP1.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
The IUPAC name of N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide (CID 6539541) is N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide.
What is the SMILES notation for N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
The canonical SMILES for N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide is CCCC(=O)Nc1[nH]nc2ncccc12.
What is the InChIKey of N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
The InChIKey is XSOFTNQNMZKTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-4-8(15)12-10-7-5-3-6-11-9(7)13-14-10/h3,5-6H,2,4H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide has a molecular weight of 204.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide is sourced from PubChem (CID 6539541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).