2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

C15H21N5O — CID 81171959

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)CC3(CN)CCC3)cc12
InChIInChI=1S/C15H21N5O/c1-10-12-6-11(8-17-14(12)20(2)19-10)18-13(21)7-15(9-16)4-3-5-15/h6,8H,3-5,7,9,16H2,1-2H3,(H,18,21)
InChIKeyYXGMBHNYMZVCIB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.73
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (PubChem CID 81171959) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
PubChem CID81171959
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)CC3(CN)CCC3)cc12
InChIInChI=1S/C15H21N5O/c1-10-12-6-11(8-17-14(12)20(2)19-10)18-13(21)7-15(9-16)4-3-5-15/h6,8H,3-5,7,9,16H2,1-2H3,(H,18,21)
InChIKeyYXGMBHNYMZVCIB-UHFFFAOYSA-N
XLogP1.73
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (CID 81171959) is 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is Cc1nn(C)c2ncc(NC(=O)CC3(CN)CCC3)cc12.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The InChIKey is YXGMBHNYMZVCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-12-6-11(8-17-14(12)20(2)19-10)18-13(21)7-15(9-16)4-3-5-15/h6,8H,3-5,7,9,16H2,1-2H3,(H,18,21).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 81171959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).